CID 44228129

4-(difluoromethoxy)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12F2O3
SMILES
C1CC(CCC1C(=O)O)OC(F)F
InChI
InChI=1S/C8H12F2O3/c9-8(10)13-6-3-1-5(2-4-6)7(11)12/h5-6,8H,1-4H2,(H,11,12)
InChIKey
JFRRPAFKKKNPOA-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

194.07545 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.082726 138.9
[M+Na]+ 217.064668 143.8
[M-H]- 193.068174 137.7
[M+NH4]+ 212.109273 157.1
[M+K]+ 233.038608 143.0
[M+H-H2O]+ 177.072710 131.8
[M+HCOO]- 239.073651 154.6
[M+CH3COO]- 253.089301 180.3
[M+Na-2H]- 215.050116 139.7
[M]+ 194.07490142 132.6
[M]- 194.07599858 132.6
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