CID 9186307

2-bromo-4,5-dimethoxy-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H12BrNO4S
SMILES
CNS(=O)(=O)C1=C(C=C(C(=C1)OC)OC)Br
InChI
InChI=1S/C9H12BrNO4S/c1-11-16(12,13)9-5-8(15-3)7(14-2)4-6(9)10/h4-5,11H,1-3H3
InChIKey
DDLOQCYMDABSIK-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.96704 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.97432 147.4
[M+Na]+ 331.95626 160.0
[M-H]- 307.95976 154.4
[M+NH4]+ 327.00086 166.6
[M+K]+ 347.93020 148.7
[M+H-H2O]+ 291.96430 146.8
[M+HCOO]- 353.96524 164.9
[M+CH3COO]- 367.98089 199.8
[M+Na-2H]- 329.94171 153.6
[M]+ 308.96649 171.6
[M]- 308.96759 171.6
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.