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]+ 163.05652 127.7
[M+Na]+ 185.03846 138.7
[M-H]- 161.04196 129.8
[M+NH4]+ 180.08306 149.2
[M+K]+ 201.01240 136.5
[M+H-H2O]+ 145.04650 123.5
[M+HCOO]- 207.04744 145.6
[M+CH3COO]- 221.06309 177.1
[M+Na-2H]- 183.02391 133.7
[M]+ 162.04869 127.4
[M]- 162.04979 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.