CID 130743894

2,2-difluorospiro[2.3]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1CC2(C1)C(C2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)4(5(10)11)6(7)2-1-3-6/h4H,1-3H2,(H,10,11)
InChIKey
DXMNAEVEFHUBKW-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.3]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 129.4
[M+Na]+ 185.038458 138.9
[M-H]- 161.041964 133.2
[M+NH4]+ 180.083063 142.8
[M+K]+ 201.012398 140.1
[M+H-H2O]+ 145.046500 120.9
[M+HCOO]- 207.047441 146.9
[M+CH3COO]- 221.063091 181.2
[M+Na-2H]- 183.023906 135.4
[M]+ 162.04869142 137.1
[M]- 162.04978858 137.1
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