CID 165842557

2-(4,4-difluorocyclohexyl)prop-2-enoicacid

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]+ 191.08782 138.6
[M+Na]+ 213.06976 144.5
[M-H]- 189.07326 137.7
[M+NH4]+ 208.11436 159.1
[M+K]+ 229.04370 142.5
[M+H-H2O]+ 173.07780 132.7
[M+HCOO]- 235.07874 154.0
[M+CH3COO]- 249.09439 180.0
[M+Na-2H]- 211.05521 140.2
[M]+ 190.07999 130.8
[M]- 190.08109 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.