CID 71755645

2-bromo-5-chloro-4-methoxy-3-nitrobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H4BrCl2NO5S
SMILES
COC1=C(C=C(C(=C1[N+](=O)[O-])Br)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H4BrCl2NO5S/c1-16-7-3(9)2-4(17(10,14)15)5(8)6(7)11(12)13/h2H,1H3
InChIKey
LJAQYVVYZNLRCO-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-4-methoxy-3-nitrobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.83707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.84435 151.4
[M+Na]+ 385.82629 165.4
[M-H]- 361.82979 158.5
[M+NH4]+ 380.87089 169.3
[M+K]+ 401.80023 148.4
[M+H-H2O]+ 345.83433 157.8
[M+HCOO]- 407.83527 160.3
[M+CH3COO]- 421.85092 197.4
[M+Na-2H]- 383.81174 158.4
[M]+ 362.83652 175.9
[M]- 362.83762 175.9
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.