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]+ 174.97926 128.0
[M+Na]+ 196.96120 138.9
[M-H]- 172.96470 131.9
[M+NH4]+ 192.00580 149.1
[M+K]+ 212.93514 137.1
[M+H-H2O]+ 156.96924 124.6
[M+HCOO]- 218.97018 147.5
[M+CH3COO]- 232.98583 173.1
[M+Na-2H]- 194.94665 133.1
[M]+ 173.97143 132.5
[M]- 173.97253 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.