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 130.2
[M+Na]+ 173.03846 135.9
[M-H]- 149.04196 130.0
[M+NH4]+ 168.08306 145.8
[M+K]+ 189.01240 138.1
[M+H-H2O]+ 133.04650 120.1
[M+HCOO]- 195.04744 147.3
[M+CH3COO]- 209.06309 175.9
[M+Na-2H]- 171.02391 133.6
[M]+ 150.04869 134.1
[M]- 150.04979 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