CID 84731547

2,2-difluoro-1-methylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC1(CCCC1(F)F)C(=O)O
InChI
InChI=1S/C7H10F2O2/c1-6(5(10)11)3-2-4-7(6,8)9/h2-4H2,1H3,(H,10,11)
InChIKey
KCPKXCBWPUZJAP-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 129.2
[M+Na]+ 187.054098 137.7
[M-H]- 163.057604 129.3
[M+NH4]+ 182.098703 154.8
[M+K]+ 203.028038 136.4
[M+H-H2O]+ 147.062140 124.9
[M+HCOO]- 209.063081 148.2
[M+CH3COO]- 223.078731 173.4
[M+Na-2H]- 185.039546 133.3
[M]+ 164.06433142 124.6
[M]- 164.06542858 124.6
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.