CID 8467981

5-bromo-2-ethoxy-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H12BrNO3S
SMILES
CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC
InChI
InChI=1S/C9H12BrNO3S/c1-3-14-8-5-4-7(10)6-9(8)15(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKey
XOHVKXBJITYZES-UHFFFAOYSA-N
Compound name
5-bromo-2-ethoxy-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.97214 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97942 144.4
[M+Na]+ 315.96136 146.3
[M+NH4]+ 311.00596 148.3
[M+K]+ 331.93530 146.2
[M-H]- 291.96486 144.2
[M+Na-2H]- 313.94681 147.3
[M]+ 292.97159 143.7
[M]- 292.97269 143.7
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.