CID 43164336

3-bromo-4-ethoxybenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe