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

18
Patents

150.04924 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 130.2
[M+Na]+ 173.038458 135.9
[M-H]- 149.041964 130.0
[M+NH4]+ 168.083063 145.8
[M+K]+ 189.012398 138.1
[M+H-H2O]+ 133.046500 120.1
[M+HCOO]- 195.047441 147.3
[M+CH3COO]- 209.063091 175.9
[M+Na-2H]- 171.023906 133.6
[M]+ 150.04869142 134.1
[M]- 150.04978858 134.1
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