CID 2321418

5-bromo-2-ethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10BrNO3S
SMILES
CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N
InChI
InChI=1S/C8H10BrNO3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKey
DWEBAXUXUGSGPJ-UHFFFAOYSA-N
Compound name
5-bromo-2-ethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

278.95648 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.96376 141.9
[M+Na]+ 301.94570 154.4
[M-H]- 277.94920 148.3
[M+NH4]+ 296.99030 161.9
[M+K]+ 317.91964 142.3
[M+H-H2O]+ 261.95374 141.6
[M+HCOO]- 323.95468 158.9
[M+CH3COO]- 337.97033 193.3
[M+Na-2H]- 299.93115 147.9
[M]+ 278.95593 163.1
[M]- 278.95703 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe