CID 53418576

6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1C(CC2C1C2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)4-1-3(6(10)11)2-5(4)7/h3-5H,1-2H2,(H,10,11)
InChIKey
IOQVITCQIHHDBC-UHFFFAOYSA-N
Compound name
6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

162.04924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05652 137.2
[M+Na]+ 185.03846 145.8
[M+NH4]+ 180.08306 145.8
[M+K]+ 201.01240 143.0
[M-H]- 161.04196 141.0
[M+Na-2H]- 183.02391 141.7
[M]+ 162.04869 140.2
[M]- 162.04979 140.2
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

patents stripe