CID 145913848

2-[(4,4-difluorocyclohexyl)oxy]acetic acid

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]+ 195.082726 138.5
[M+Na]+ 217.064668 144.6
[M-H]- 193.068174 137.6
[M+NH4]+ 212.109273 158.9
[M+K]+ 233.038608 143.5
[M+H-H2O]+ 177.072710 132.3
[M+HCOO]- 239.073651 155.2
[M+CH3COO]- 253.089301 179.0
[M+Na-2H]- 215.050116 141.8
[M]+ 194.07490142 133.2
[M]- 194.07599858 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.