CID 83479473

2,2-difluorocyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1CC(C(C1)(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O2/c7-6(8)3-1-2-4(6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKey
XSLQMFZQUKYHKR-UHFFFAOYSA-N
Compound name
2,2-difluorocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

150.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 126.2
[M+Na]+ 173.03846 134.2
[M-H]- 149.04196 126.0
[M+NH4]+ 168.08306 150.3
[M+K]+ 189.01240 132.9
[M+H-H2O]+ 133.04650 121.0
[M+HCOO]- 195.04744 145.5
[M+CH3COO]- 209.06309 170.6
[M+Na-2H]- 171.02391 129.4
[M]+ 150.04869 120.7
[M]- 150.04979 120.7
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