CID 710732

2,5-dichloro-n-(4-methoxybenzyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H13Cl2NO3S
SMILES
COC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2NO3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-8-11(15)4-7-13(14)16/h2-8,17H,9H2,1H3
InChIKey
GHAIDUUULQXGQP-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

344.99933 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.00661 171.8
[M+Na]+ 367.98855 181.9
[M-H]- 343.99205 178.9
[M+NH4]+ 363.03315 187.1
[M+K]+ 383.96249 175.3
[M+H-H2O]+ 327.99659 166.5
[M+HCOO]- 389.99753 181.9
[M+CH3COO]- 404.01318 207.1
[M+Na-2H]- 365.97400 175.1
[M]+ 344.99878 179.2
[M]- 344.99988 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.