CID 43164411

5-bromo-3-chloro-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H7BrClNO3S
SMILES
COC1=C(C=C(C=C1Cl)Br)S(=O)(=O)N
InChI
InChI=1S/C7H7BrClNO3S/c1-13-7-5(9)2-4(8)3-6(7)14(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKey
CWBKZDQHBGGFAR-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.90186 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.90914 141.8
[M+Na]+ 321.89108 156.3
[M-H]- 297.89458 148.8
[M+NH4]+ 316.93568 162.2
[M+K]+ 337.86502 142.7
[M+H-H2O]+ 281.89912 142.9
[M+HCOO]- 343.90006 154.8
[M+CH3COO]- 357.91571 195.1
[M+Na-2H]- 319.87653 147.5
[M]+ 298.90131 164.8
[M]- 298.90241 164.8
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.