CID 84655042

5-chloro-4-formylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C6H3ClO4
SMILES
C1=C(OC(=C1C=O)Cl)C(=O)O
InChI
InChI=1S/C6H3ClO4/c7-5-3(2-8)1-4(11-5)6(9)10/h1-2H,(H,9,10)
InChIKey
RBCXRGWNJJRDLH-UHFFFAOYSA-N
Compound name
5-chloro-4-formylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.97198 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.979256 128.0
[M+Na]+ 196.961198 138.9
[M-H]- 172.964704 131.9
[M+NH4]+ 192.005803 149.1
[M+K]+ 212.935138 137.1
[M+H-H2O]+ 156.969240 124.6
[M+HCOO]- 218.970181 147.5
[M+CH3COO]- 232.985831 173.1
[M+Na-2H]- 194.946646 133.1
[M]+ 173.97143142 132.5
[M]- 173.97252858 132.5
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.