CID 99771083

1261671-62-8

Structural Information

Molecular Formula
C6H3BrClNO4S
SMILES
C1=CC(=C(C(=C1)Br)[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C6H3BrClNO4S/c7-4-2-1-3-5(14(8,12)13)6(4)9(10)11/h1-3H
InChIKey
JDTXKHVLNFSTOC-UHFFFAOYSA-N
Compound name
3-bromo-2-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.86548 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.87276 139.9
[M+Na]+ 321.85470 143.9
[M+NH4]+ 316.89930 144.3
[M+K]+ 337.82864 146.0
[M-H]- 297.85820 140.3
[M+Na-2H]- 319.84015 143.1
[M]+ 298.86493 140.0
[M]- 298.86603 140.0
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.