CID 4562550

N-(2-chloroethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCCl
InChI
InChI=1S/C8H10ClNO2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
FXJJRTVXGFTULP-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

219.01208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.01936 142.6
[M+Na]+ 242.00130 151.2
[M-H]- 218.00480 146.5
[M+NH4]+ 237.04590 162.1
[M+K]+ 257.97524 146.6
[M+H-H2O]+ 202.00934 137.8
[M+HCOO]- 264.01028 157.9
[M+CH3COO]- 278.02593 183.5
[M+Na-2H]- 239.98675 148.5
[M]+ 219.01153 146.3
[M]- 219.01263 146.3
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

patents stripe