PubChemLite - Tfmeodfpo-cf2-mehidfp (C24H15F9O2)

Structural Information

Molecular Formula

SMILES

CC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OC(F)(F)F)F)(F)F)F

InChI

InChI=1S/C24H15F9O2/c1-11-4-12-2-3-13(6-14(12)5-11)15-7-17(25)21(18(26)8-15)23(29,30)34-16-9-19(27)22(20(28)10-16)35-24(31,32)33/h2-3,6-11H,4-5H2,1H3

InChIKey

KVLJGVSWZRDYQX-UHFFFAOYSA-N

Compound name

5-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-2-methyl-2,3-dihydro-1H-indene

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]+	507.10011	217.3
[M+Na]+	529.08205	229.4
[M-H]-	505.08555	217.8
[M+NH4]+	524.12665	227.1
[M+K]+	545.05599	220.9
[M+H-H2O]+	489.09009	201.7
[M+HCOO]-	551.09103	225.5
[M+CH3COO]-	565.10668	243.1
[M+Na-2H]-	527.06750	212.1
[M]+	506.09228	209.8
[M]-	506.09338	209.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.10011

217.3

[M+Na]+

529.08205

229.4

[M-H]-

505.08555

217.8

[M+NH4]+

524.12665

227.1

[M+K]+

545.05599

220.9

[M+H-H2O]+

489.09009

201.7

[M+HCOO]-

551.09103

225.5

[M+CH3COO]-

565.10668

243.1

[M+Na-2H]-

527.06750

212.1

[M]+

506.09228

209.8

[M]-

506.09338

209.8

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

Tfmeodfpo-cf2-mehidfp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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