CID 132371479

3-formylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H3ClO3S2
SMILES
C1=CSC(=C1C=O)S(=O)(=O)Cl
InChI
InChI=1S/C5H3ClO3S2/c6-11(8,9)5-4(3-7)1-2-10-5/h1-3H
InChIKey
CJGXZMYVZIGGDF-UHFFFAOYSA-N
Compound name
3-formylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.92122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.92850 139.8
[M+Na]+ 232.91044 151.5
[M-H]- 208.91394 144.7
[M+NH4]+ 227.95504 162.0
[M+K]+ 248.88438 146.8
[M+H-H2O]+ 192.91848 136.6
[M+HCOO]- 254.91942 150.5
[M+CH3COO]- 268.93507 177.0
[M+Na-2H]- 230.89589 141.5
[M]+ 209.92067 145.7
[M]- 209.92177 145.7
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.