CID 4738384

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
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 140.7
[M+Na]+ 321.85470 154.0
[M-H]- 297.85820 148.0
[M+NH4]+ 316.89930 160.4
[M+K]+ 337.82864 137.4
[M+H-H2O]+ 281.86274 146.4
[M+HCOO]- 343.86368 154.7
[M+CH3COO]- 357.87933 186.2
[M+Na-2H]- 319.84015 149.5
[M]+ 298.86493 162.5
[M]- 298.86603 162.5
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