CID 53416685

Sc-56525

Structural Information

Molecular Formula
C14H14BrNO3S
SMILES
CC1=C(C(=CC=C1)OC)NS(=O)(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C14H14BrNO3S/c1-10-6-5-8-12(19-2)14(10)16-20(17,18)13-9-4-3-7-11(13)15/h3-9,16H,1-2H3
InChIKey
ZENBMAKLSOHDBZ-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-methoxy-6-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.9878 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.99508 162.1
[M+Na]+ 377.97702 174.1
[M-H]- 353.98052 171.8
[M+NH4]+ 373.02162 179.3
[M+K]+ 393.95096 161.4
[M+H-H2O]+ 337.98506 160.9
[M+HCOO]- 399.98600 179.4
[M+CH3COO]- 414.00165 207.8
[M+Na-2H]- 375.96247 168.2
[M]+ 354.98725 184.5
[M]- 354.98835 184.5
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.