CID 165842557

2229527-44-8

Structural Information

Molecular Formula
C9H12F2O2
SMILES
C=C(C1CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C9H12F2O2/c1-6(8(12)13)7-2-4-9(10,11)5-3-7/h7H,1-5H2,(H,12,13)
InChIKey
LBNABXGZYJGNIR-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08054 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.087816 138.6
[M+Na]+ 213.069758 144.5
[M-H]- 189.073264 137.7
[M+NH4]+ 208.114363 159.1
[M+K]+ 229.043698 142.5
[M+H-H2O]+ 173.077800 132.7
[M+HCOO]- 235.078741 154.0
[M+CH3COO]- 249.094391 180.0
[M+Na-2H]- 211.055206 140.2
[M]+ 190.07999142 130.8
[M]- 190.08108858 130.8
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

No patent data available for this compound.