CID 39058298

2-cyclopentyl-2,2-difluoroacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

164.06488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 132.0
[M+Na]+ 187.054098 138.1
[M-H]- 163.057604 131.2
[M+NH4]+ 182.098703 153.3
[M+K]+ 203.028038 136.9
[M+H-H2O]+ 147.062140 126.0
[M+HCOO]- 209.063081 149.4
[M+CH3COO]- 223.078731 173.2
[M+Na-2H]- 185.039546 134.9
[M]+ 164.06433142 125.7
[M]- 164.06542858 125.7
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