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

48
Patents

180.0598 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.067076 134.0
[M+Na]+ 203.049018 141.2
[M-H]- 179.052524 132.4
[M+NH4]+ 198.093623 156.3
[M+K]+ 219.022958 139.7
[M+H-H2O]+ 163.057060 129.4
[M+HCOO]- 225.058001 149.6
[M+CH3COO]- 239.073651 173.2
[M+Na-2H]- 201.034466 138.7
[M]+ 180.05925142 127.0
[M]- 180.06034858 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

patents stripe