CID 835029

N-(3,5-dichloro-4-hydroxy-phenyl)-4-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C13H11Cl2NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2)Cl)O)Cl
InChI
InChI=1S/C13H11Cl2NO3S/c1-8-2-4-10(5-3-8)20(18,19)16-9-6-11(14)13(17)12(15)7-9/h2-7,16-17H,1H3
InChIKey
LKXDNKFSHKMSPO-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.98367 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99095 166.9
[M+Na]+ 353.97289 177.7
[M-H]- 329.97639 173.1
[M+NH4]+ 349.01749 182.2
[M+K]+ 369.94683 170.6
[M+H-H2O]+ 313.98093 162.4
[M+HCOO]- 375.98187 175.8
[M+CH3COO]- 389.99752 203.1
[M+Na-2H]- 351.95834 169.7
[M]+ 330.98312 172.5
[M]- 330.98422 172.5
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

patents stripe