CID 306215

4-chloro-n-(4-ethoxyphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H14ClNO3S
SMILES
CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClNO3S/c1-2-19-13-7-5-12(6-8-13)16-20(17,18)14-9-3-11(15)4-10-14/h3-10,16H,2H2,1H3
InChIKey
ZYDXPXBPARYTSC-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

311.0383 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04558 166.5
[M+Na]+ 334.02752 175.6
[M-H]- 310.03102 173.8
[M+NH4]+ 329.07212 182.4
[M+K]+ 350.00146 169.9
[M+H-H2O]+ 294.03556 160.1
[M+HCOO]- 356.03650 181.7
[M+CH3COO]- 370.05215 201.6
[M+Na-2H]- 332.01297 171.2
[M]+ 311.03775 172.3
[M]- 311.03885 172.3
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