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

14
Patents

168.03981 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 130.6
[M+Na]+ 191.02903 137.5
[M-H]- 167.03253 125.5
[M+NH4]+ 186.07363 150.1
[M+K]+ 207.00297 136.2
[M+H-H2O]+ 151.03707 123.7
[M+HCOO]- 213.03801 147.7
[M+CH3COO]- 227.05366 176.8
[M+Na-2H]- 189.01448 131.7
[M]+ 168.03926 125.7
[M]- 168.04036 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe