PubChemLite - 2-propenoic acid, (1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy-2,1-ethanediyl) ester (C25H24Br4O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC(=C(C(=C1)Br)OCCOC(=O)C=C)Br)C2=CC(=C(C(=C2)Br)OCCOC(=O)C=C)Br

InChI

InChI=1S/C25H24Br4O6/c1-5-21(30)32-7-9-34-23-17(26)11-15(12-18(23)27)25(3,4)16-13-19(28)24(20(29)14-16)35-10-8-33-22(31)6-2/h5-6,11-14H,1-2,7-10H2,3-4H3

InChIKey

OOGPFCFGQOSOOZ-UHFFFAOYSA-N

Compound name

2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	736.83788	192.9
[M+Na]+	758.81982	196.2
[M-H]-	734.82332	196.9
[M+NH4]+	753.86442	198.4
[M+K]+	774.79376	183.7
[M+H-H2O]+	718.82786	208.8
[M+HCOO]-	780.82880	195.6
[M+CH3COO]-	794.84445	253.6
[M+Na-2H]-	756.80527	190.4
[M]+	735.83005	233.0
[M]-	735.83115	233.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

736.83788

192.9

[M+Na]+

758.81982

196.2

[M-H]-

734.82332

196.9

[M+NH4]+

753.86442

198.4

[M+K]+

774.79376

183.7

[M+H-H2O]+

718.82786

208.8

[M+HCOO]-

780.82880

195.6

[M+CH3COO]-

794.84445

253.6

[M+Na-2H]-

756.80527

190.4

[M]+

735.83005

233.0

[M]-

735.83115

233.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-propenoic acid, (1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy-2,1-ethanediyl) ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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