CID 84649353

1-(difluoromethyl)cyclobutane-1-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

150.04924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05652 137.9
[M+Na]+ 173.03846 141.2
[M+NH4]+ 168.08306 141.5
[M+K]+ 189.01240 137.4
[M-H]- 149.04196 132.2
[M+Na-2H]- 171.02391 138.7
[M]+ 150.04869 135.3
[M]- 150.04979 135.3
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