CID 62880524

2-bromo-5-chloro-3-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2BrCl2NO4S
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])Br)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H2BrCl2NO4S/c7-6-4(10(11)12)1-3(8)2-5(6)15(9,13)14/h1-2H
InChIKey
SOWULEAITITGLM-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-3-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.8265 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.83378 145.3
[M+Na]+ 355.81572 159.4
[M-H]- 331.81922 152.3
[M+NH4]+ 350.86032 164.3
[M+K]+ 371.78966 142.0
[M+H-H2O]+ 315.82376 152.0
[M+HCOO]- 377.82470 154.4
[M+CH3COO]- 391.84035 191.7
[M+Na-2H]- 353.80117 152.9
[M]+ 332.82595 168.0
[M]- 332.82705 168.0
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

No patent data available for this compound.