CID 84764731

1-(difluoromethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1CCC(C1)(C(F)F)C(=O)O
InChI
InChI=1S/C7H10F2O2/c8-5(9)7(6(10)11)3-1-2-4-7/h5H,1-4H2,(H,10,11)
InChIKey
KFBQNHZHLRBJIQ-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

164.06488 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 132.5
[M+Na]+ 187.054098 138.8
[M-H]- 163.057604 131.8
[M+NH4]+ 182.098703 155.6
[M+K]+ 203.028038 137.7
[M+H-H2O]+ 147.062140 126.8
[M+HCOO]- 209.063081 150.4
[M+CH3COO]- 223.078731 173.4
[M+Na-2H]- 185.039546 134.5
[M]+ 164.06433142 126.3
[M]- 164.06542858 126.3
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