CID 40151970

1075221-15-6

Structural Information

Molecular Formula
C7H10F2O3
SMILES
C1CC(CCC1(C(=O)O)O)(F)F
InChI
InChI=1S/C7H10F2O3/c8-7(9)3-1-6(12,2-4-7)5(10)11/h12H,1-4H2,(H,10,11)
InChIKey
KPMCRUWWEQPEIG-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-hydroxycyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

180.0598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06708 134.0
[M+Na]+ 203.04902 141.2
[M-H]- 179.05252 132.4
[M+NH4]+ 198.09362 156.3
[M+K]+ 219.02296 139.7
[M+H-H2O]+ 163.05706 129.4
[M+HCOO]- 225.05800 149.6
[M+CH3COO]- 239.07365 173.2
[M+Na-2H]- 201.03447 138.7
[M]+ 180.05925 127.0
[M]- 180.06035 127.0
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.