CID 17986378

4-nitrothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H2ClNO4S2
SMILES
C1=C(SC=C1[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C4H2ClNO4S2/c5-12(9,10)4-1-3(2-11-4)6(7)8/h1-2H
InChIKey
WUMGHGGPZKZYNN-UHFFFAOYSA-N
Compound name
4-nitrothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

226.91138 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.91866 142.8
[M+Na]+ 249.90060 152.1
[M-H]- 225.90410 147.2
[M+NH4]+ 244.94520 162.9
[M+K]+ 265.87454 144.0
[M+H-H2O]+ 209.90864 143.6
[M+HCOO]- 271.90958 154.1
[M+CH3COO]- 285.92523 173.9
[M+Na-2H]- 247.88605 147.0
[M]+ 226.91083 145.0
[M]- 226.91193 145.0
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

patents stripe