CID 105429383

2-cyclobutyl-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1CC(C1)C(C(=O)O)(F)F
InChI
InChI=1S/C6H8F2O2/c7-6(8,5(9)10)4-2-1-3-4/h4H,1-3H2,(H,9,10)
InChIKey
BWBSNBKMNGVMLY-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04924 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 127.3
[M+Na]+ 173.038458 132.8
[M-H]- 149.041964 126.9
[M+NH4]+ 168.083063 141.1
[M+K]+ 189.012398 134.9
[M+H-H2O]+ 133.046500 116.4
[M+HCOO]- 195.047441 143.9
[M+CH3COO]- 209.063091 175.8
[M+Na-2H]- 171.023906 131.7
[M]+ 150.04869142 131.1
[M]- 150.04978858 131.1
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

No patent data available for this compound.