CID 62396273

2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid

Structural Information

Molecular Formula
C8H12F2O3
SMILES
C1CCC(CC1)(C(C(=O)O)(F)F)O
InChI
InChI=1S/C8H12F2O3/c9-8(10,6(11)12)7(13)4-2-1-3-5-7/h13H,1-5H2,(H,11,12)
InChIKey
CJCOBYDZAQJLGO-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

194.07545 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.082726 139.5
[M+Na]+ 217.064668 144.8
[M-H]- 193.068174 137.2
[M+NH4]+ 212.109273 159.0
[M+K]+ 233.038608 143.3
[M+H-H2O]+ 177.072710 134.1
[M+HCOO]- 239.073651 153.2
[M+CH3COO]- 253.089301 175.6
[M+Na-2H]- 215.050116 143.9
[M]+ 194.07490142 131.5
[M]- 194.07599858 131.5
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