PubChemLite - 150225-65-3 (C19H11F17N2O3)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC(=CC(=C1)OC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C19H11F17N2O3/c1-6(39)37-8-3-9(38-7(2)40)5-10(4-8)41-12(15(22,23)24)11(13(20,16(25,26)27)17(28,29)30)14(21,18(31,32)33)19(34,35)36/h3-5H,1-2H3,(H,37,39)(H,38,40)

InChIKey

NPGWPCYQBUMSNZ-UHFFFAOYSA-N

Compound name

N-[3-acetamido-5-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxyphenyl]acetamide

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]+	639.05708	193.6
[M+Na]+	661.03902	204.3
[M-H]-	637.04252	208.5
[M+NH4]+	656.08362	207.3
[M+K]+	677.01296	209.7
[M+H-H2O]+	621.04706	185.6
[M+HCOO]-	683.04800	206.9
[M+CH3COO]-	697.06365	260.5
[M+Na-2H]-	659.02447	192.3
[M]+	638.04925	185.9
[M]-	638.05035	185.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

639.05708

193.6

[M+Na]+

661.03902

204.3

[M-H]-

637.04252

208.5

[M+NH4]+

656.08362

207.3

[M+K]+

677.01296

209.7

[M+H-H2O]+

621.04706

185.6

[M+HCOO]-

683.04800

206.9

[M+CH3COO]-

697.06365

260.5

[M+Na-2H]-

659.02447

192.3

[M]+

638.04925

185.9

[M]-

638.05035

185.9

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

150225-65-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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