CID 137935532

2248351-67-7

Structural Information

Molecular Formula
C8H10F2O2
SMILES
C1CCC2(C(C1)C2(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O2/c9-8(10)5-3-1-2-4-7(5,8)6(11)12/h5H,1-4H2,(H,11,12)
InChIKey
GXQKHZIFBNBPQK-UHFFFAOYSA-N
Compound name
7,7-difluorobicyclo[4.1.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.072156 133.7
[M+Na]+ 199.054098 143.5
[M-H]- 175.057604 135.5
[M+NH4]+ 194.098703 153.0
[M+K]+ 215.028038 141.8
[M+H-H2O]+ 159.062140 128.7
[M+HCOO]- 221.063081 149.5
[M+CH3COO]- 235.078731 180.2
[M+Na-2H]- 197.039546 140.1
[M]+ 176.06433142 131.8
[M]- 176.06542858 131.8
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.