CID 146155621

2416234-11-0

Structural Information

Molecular Formula
C6H3ClO3S
SMILES
C1=C(SC(=C1Cl)C(=O)O)C=O
InChI
InChI=1S/C6H3ClO3S/c7-4-1-3(2-8)11-5(4)6(9)10/h1-2H,(H,9,10)
InChIKey
NXVYLRQGFRKANS-UHFFFAOYSA-N
Compound name
3-chloro-5-formylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.94914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.95642 133.8
[M+Na]+ 212.93836 144.7
[M-H]- 188.94186 137.4
[M+NH4]+ 207.98296 156.2
[M+K]+ 228.91230 140.8
[M+H-H2O]+ 172.94640 130.5
[M+HCOO]- 234.94734 148.6
[M+CH3COO]- 248.96299 174.9
[M+Na-2H]- 210.92381 134.6
[M]+ 189.94859 138.5
[M]- 189.94969 138.5
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.