CID 10654653

5,6,6-trifluorohex-5-enoic acid

Structural Information

Molecular Formula

C₆H₇F₃O₂

SMILES

C(CC(=C(F)F)F)CC(=O)O

InChI

InChI=1S/C6H7F3O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11)

InChIKey

ZSZRUNIGLYJCEN-UHFFFAOYSA-N

Compound name

5,6,6-trifluorohex-5-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 168.03981 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

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]+	169.04709	139.3
[M+Na]+	191.02903	145.1
[M+NH4]+	186.07363	143.3
[M+K]+	207.00297	141.8
[M-H]-	167.03253	132.7
[M+Na-2H]-	189.01448	138.9
[M]+	168.03926	137.6
[M]-	168.04036	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe