CID 167738774

N-(4-bromo-2-hydroxyphenyl)ethene-1-sulfonamide

Structural Information

Molecular Formula
C8H8BrNO3S
SMILES
C=CS(=O)(=O)NC1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C8H8BrNO3S/c1-2-14(12,13)10-7-4-3-6(9)5-8(7)11/h2-5,10-11H,1H2
InChIKey
RMXMEDRMMDLRAU-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-hydroxyphenyl)ethenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.94083 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.94811 140.4
[M+Na]+ 299.93005 152.8
[M-H]- 275.93355 146.0
[M+NH4]+ 294.97465 159.9
[M+K]+ 315.90399 139.6
[M+H-H2O]+ 259.93809 140.4
[M+HCOO]- 321.93903 156.8
[M+CH3COO]- 335.95468 190.7
[M+Na-2H]- 297.91550 147.0
[M]+ 276.94028 160.2
[M]- 276.94138 160.2
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.