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 145.5
[M+Na]+ 315.96136 157.6
[M-H]- 291.96486 152.2
[M+NH4]+ 311.00596 165.2
[M+K]+ 331.93530 145.7
[M+H-H2O]+ 275.96940 145.0
[M+HCOO]- 337.97034 162.8
[M+CH3COO]- 351.98599 196.7
[M+Na-2H]- 313.94681 152.0
[M]+ 292.97159 168.0
[M]- 292.97269 168.0
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.