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

46
Patents

194.07545 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08273 139.5
[M+Na]+ 217.06467 144.8
[M-H]- 193.06817 137.2
[M+NH4]+ 212.10927 159.0
[M+K]+ 233.03861 143.3
[M+H-H2O]+ 177.07271 134.1
[M+HCOO]- 239.07365 153.2
[M+CH3COO]- 253.08930 175.6
[M+Na-2H]- 215.05012 143.9
[M]+ 194.07490 131.5
[M]- 194.07600 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