CID 89686644

4,4-difluoro-1-methoxycyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12F2O3
SMILES
COC1(CCC(CC1)(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O3/c1-13-7(6(11)12)2-4-8(9,10)5-3-7/h2-5H2,1H3,(H,11,12)
InChIKey
XOQMXORNKWECKC-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-methoxycyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

194.07545 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08273 142.7
[M+Na]+ 217.06467 150.3
[M+NH4]+ 212.10927 151.3
[M+K]+ 233.03861 142.7
[M-H]- 193.06817 139.9
[M+Na-2H]- 215.05012 147.6
[M]+ 194.07490 142.8
[M]- 194.07600 142.8
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

patents stripe