CID 8317967

5-bromo-2-methoxybenzenesulphonamide

Structural Information

Molecular Formula
C7H8BrNO3S
SMILES
COC1=C(C=C(C=C1)Br)S(=O)(=O)N
InChI
InChI=1S/C7H8BrNO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
WHYIIAFUVXCXIL-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

264.94083 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.94811 137.4
[M+Na]+ 287.93005 150.4
[M-H]- 263.93355 144.0
[M+NH4]+ 282.97465 157.9
[M+K]+ 303.90399 138.5
[M+H-H2O]+ 247.93809 137.3
[M+HCOO]- 309.93903 154.8
[M+CH3COO]- 323.95468 190.4
[M+Na-2H]- 285.91550 143.9
[M]+ 264.94028 158.4
[M]- 264.94138 158.4
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