CID 2784010

17798-15-1

Structural Information

Molecular Formula
C15H16ClNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CCl)C2=CC=CC=C2
InChI
InChI=1S/C15H16ClNO2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3
InChIKey
JCIHMVMXJDYETN-UHFFFAOYSA-N
Compound name
N-(2-chloro-1-phenylethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.05902 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06630 167.5
[M+Na]+ 332.04824 175.2
[M-H]- 308.05174 174.3
[M+NH4]+ 327.09284 183.2
[M+K]+ 348.02218 169.1
[M+H-H2O]+ 292.05628 161.1
[M+HCOO]- 354.05722 181.1
[M+CH3COO]- 368.07287 202.1
[M+Na-2H]- 330.03369 171.2
[M]+ 309.05847 171.4
[M]- 309.05957 171.4
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.