CID 2735783

5-chloro-4-nitrothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4HCl2NO4S2
SMILES
C1=C(SC(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl
InChI
InChI=1S/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
InChIKey
SGHAHFHTASPNKN-UHFFFAOYSA-N
Compound name
5-chloro-4-nitrothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

260.8724 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.87968 149.8
[M+Na]+ 283.86162 161.0
[M+NH4]+ 278.90622 157.6
[M+K]+ 299.83556 156.5
[M-H]- 259.86512 150.6
[M+Na-2H]- 281.84707 152.7
[M]+ 260.87185 152.8
[M]- 260.87295 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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