CID 165861926

2228847-26-3

Structural Information

Molecular Formula
C6H7FO3
SMILES
C1C(=O)CC1(CF)C(=O)O
InChI
InChI=1S/C6H7FO3/c7-3-6(5(9)10)1-4(8)2-6/h1-3H2,(H,9,10)
InChIKey
PIWINFPNEWODBM-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.03792 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04520 126.0
[M+Na]+ 169.02714 132.9
[M-H]- 145.03064 127.5
[M+NH4]+ 164.07174 142.0
[M+K]+ 185.00108 135.1
[M+H-H2O]+ 129.03518 117.0
[M+HCOO]- 191.03612 145.5
[M+CH3COO]- 205.05177 174.6
[M+Na-2H]- 167.01259 130.9
[M]+ 146.03737 132.9
[M]- 146.03847 132.9
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

No patent data available for this compound.