PubChemLite - 203200-82-2 (C19H11F17N2O2)

Structural Information

Molecular Formula

SMILES

C/C(=C/C(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/NNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H11F17N2O2/c1-8(37-38-11(40)9-5-3-2-4-6-9)7-10(39)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2-7,37H,1H3,(H,38,40)/b8-7-

InChIKey

GTEXASFKPWBCFJ-FPLPWBNLSA-N

Compound name

N'-[(Z)-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-4-oxododec-2-en-2-yl]benzohydrazide

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]+	623.06221	185.5
[M+Na]+	645.04415	196.1
[M-H]-	621.04765	199.3
[M+NH4]+	640.08875	198.0
[M+K]+	661.01809	201.8
[M+H-H2O]+	605.05219	176.0
[M+HCOO]-	667.05313	201.0
[M+CH3COO]-	681.06878	258.9
[M+Na-2H]-	643.02960	184.9
[M]+	622.05438	179.8
[M]-	622.05548	179.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

623.06221

185.5

[M+Na]+

645.04415

196.1

[M-H]-

621.04765

199.3

[M+NH4]+

640.08875

198.0

[M+K]+

661.01809

201.8

[M+H-H2O]+

605.05219

176.0

[M+HCOO]-

667.05313

201.0

[M+CH3COO]-

681.06878

258.9

[M+Na-2H]-

643.02960

184.9

[M]+

622.05438

179.8

[M]-

622.05548

179.8

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

203200-82-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe