CID 234853

5-chlorofuran-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

400
Patents

145.97707 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe