CID 118062622

3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H7F3O2
SMILES
C1C(CC1(F)F)(CF)C(=O)O
InChI
InChI=1S/C6H7F3O2/c7-3-5(4(10)11)1-6(8,9)2-5/h1-3H2,(H,10,11)
InChIKey
GASWYZXSHMFRSO-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-(fluoromethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

168.03981 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.047086 131.7
[M+Na]+ 191.029028 139.5
[M-H]- 167.032534 131.0
[M+NH4]+ 186.073633 148.8
[M+K]+ 207.002968 140.9
[M+H-H2O]+ 151.037070 122.4
[M+HCOO]- 213.038011 148.7
[M+CH3COO]- 227.053661 178.7
[M+Na-2H]- 189.014476 136.4
[M]+ 168.03926142 135.8
[M]- 168.04035858 135.8
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