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

8
Patents

168.03981 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 131.7
[M+Na]+ 191.02903 139.5
[M-H]- 167.03253 131.0
[M+NH4]+ 186.07363 148.8
[M+K]+ 207.00297 140.9
[M+H-H2O]+ 151.03707 122.4
[M+HCOO]- 213.03801 148.7
[M+CH3COO]- 227.05366 178.7
[M+Na-2H]- 189.01448 136.4
[M]+ 168.03926 135.8
[M]- 168.04036 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