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]+ 151.05652 127.3
[M+Na]+ 173.03846 132.8
[M-H]- 149.04196 126.9
[M+NH4]+ 168.08306 141.1
[M+K]+ 189.01240 134.9
[M+H-H2O]+ 133.04650 116.4
[M+HCOO]- 195.04744 143.9
[M+CH3COO]- 209.06309 175.8
[M+Na-2H]- 171.02391 131.7
[M]+ 150.04869 131.1
[M]- 150.04979 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.