CID 118062966

1,1-difluorospiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1C(CC12CC2(F)F)C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)3-6(7)1-4(2-6)5(10)11/h4H,1-3H2,(H,10,11)
InChIKey
CSENACBSALYMRZ-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 129.4
[M+Na]+ 185.03846 138.9
[M-H]- 161.04196 133.2
[M+NH4]+ 180.08306 142.8
[M+K]+ 201.01240 140.1
[M+H-H2O]+ 145.04650 120.9
[M+HCOO]- 207.04744 146.9
[M+CH3COO]- 221.06309 181.2
[M+Na-2H]- 183.02391 135.4
[M]+ 162.04869 137.1
[M]- 162.04979 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