CID 138046618

6,6-difluorobicyclo[3.1.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1CC2C(C1)(C2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)4-2-1-3-6(4,7)5(10)11/h4H,1-3H2,(H,10,11)
InChIKey
SRBHXVYJADAQOA-UHFFFAOYSA-N
Compound name
6,6-difluorobicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04924 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.056516 127.7
[M+Na]+ 185.038458 138.7
[M-H]- 161.041964 129.8
[M+NH4]+ 180.083063 149.2
[M+K]+ 201.012398 136.5
[M+H-H2O]+ 145.046500 123.5
[M+HCOO]- 207.047441 145.6
[M+CH3COO]- 221.063091 177.1
[M+Na-2H]- 183.023906 133.7
[M]+ 162.04869142 127.4
[M]- 162.04978858 127.4
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.