CID 54592949

5-bromo-4-nitrothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4HBrClNO4S2
SMILES
C1=C(SC(=C1[N+](=O)[O-])Br)S(=O)(=O)Cl
InChI
InChI=1S/C4HBrClNO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
InChIKey
AEGCICFRYFEARP-UHFFFAOYSA-N
Compound name
5-bromo-4-nitrothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.8219 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.82918 139.9
[M+Na]+ 327.81112 154.1
[M-H]- 303.81462 147.4
[M+NH4]+ 322.85572 161.1
[M+K]+ 343.78506 136.8
[M+H-H2O]+ 287.81916 146.0
[M+HCOO]- 349.82010 149.8
[M+CH3COO]- 363.83575 185.2
[M+Na-2H]- 325.79657 146.4
[M]+ 304.82135 161.3
[M]- 304.82245 161.3
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.