CID 165747052

2,2-difluoro-1-hydroxycyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC(C(C1)(F)F)(C(=O)O)O
InChI
InChI=1S/C6H8F2O3/c7-6(8)3-1-2-5(6,11)4(9)10/h11H,1-3H2,(H,9,10)
InChIKey
ODOPZAMUCBHSOP-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 128.6
[M+Na]+ 189.03336 137.1
[M-H]- 165.03686 127.4
[M+NH4]+ 184.07796 153.3
[M+K]+ 205.00730 135.5
[M+H-H2O]+ 149.04140 124.6
[M+HCOO]- 211.04234 146.6
[M+CH3COO]- 225.05799 169.9
[M+Na-2H]- 187.01881 132.9
[M]+ 166.04359 123.2
[M]- 166.04469 123.2
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.