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

30
Patents

219.01208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.019356 142.6
[M+Na]+ 242.001298 151.2
[M-H]- 218.004804 146.5
[M+NH4]+ 237.045903 162.1
[M+K]+ 257.975238 146.6
[M+H-H2O]+ 202.009340 137.8
[M+HCOO]- 264.010281 157.9
[M+CH3COO]- 278.025931 183.5
[M+Na-2H]- 239.986746 148.5
[M]+ 219.01153142 146.3
[M]- 219.01262858 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