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]+ 177.07216 133.7
[M+Na]+ 199.05410 143.5
[M-H]- 175.05760 135.5
[M+NH4]+ 194.09870 153.0
[M+K]+ 215.02804 141.8
[M+H-H2O]+ 159.06214 128.7
[M+HCOO]- 221.06308 149.5
[M+CH3COO]- 235.07873 180.2
[M+Na-2H]- 197.03955 140.1
[M]+ 176.06433 131.8
[M]- 176.06543 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.