CID 145913848

2143162-86-9

Structural Information

Molecular Formula
C8H12F2O3
SMILES
C1CC(CCC1OCC(=O)O)(F)F
InChI
InChI=1S/C8H12F2O3/c9-8(10)3-1-6(2-4-8)13-5-7(11)12/h6H,1-5H2,(H,11,12)
InChIKey
YDODMNGUZMNHHP-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07545 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08273 138.5
[M+Na]+ 217.06467 144.6
[M-H]- 193.06817 137.6
[M+NH4]+ 212.10927 158.9
[M+K]+ 233.03861 143.5
[M+H-H2O]+ 177.07271 132.3
[M+HCOO]- 239.07365 155.2
[M+CH3COO]- 253.08930 179.0
[M+Na-2H]- 215.05012 141.8
[M]+ 194.07490 133.2
[M]- 194.07600 133.2
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

No patent data available for this compound.