CID 18938115

5-chlorofuran-3-carboxylic acid

Structural Information

Molecular Formula
C5H3ClO3
SMILES
C1=C(OC=C1C(=O)O)Cl
InChI
InChI=1S/C5H3ClO3/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
QGFIXCKXSHFBJX-UHFFFAOYSA-N
Compound name
5-chlorofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

145.97707 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98435 122.6
[M+Na]+ 168.96629 132.8
[M-H]- 144.96979 126.2
[M+NH4]+ 164.01089 144.7
[M+K]+ 184.94023 131.4
[M+H-H2O]+ 128.97433 119.2
[M+HCOO]- 190.97527 142.0
[M+CH3COO]- 204.99092 167.7
[M+Na-2H]- 166.95174 128.8
[M]+ 145.97652 125.6
[M]- 145.97762 125.6
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