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

38
Patents

194.07545 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08273 138.9
[M+Na]+ 217.06467 143.8
[M-H]- 193.06817 137.7
[M+NH4]+ 212.10927 157.1
[M+K]+ 233.03861 143.0
[M+H-H2O]+ 177.07271 131.8
[M+HCOO]- 239.07365 154.6
[M+CH3COO]- 253.08930 180.3
[M+Na-2H]- 215.05012 139.7
[M]+ 194.07490 132.6
[M]- 194.07600 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