CID 676524

4-(2-chloroethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H10ClNO2S
SMILES
C1=CC(=CC=C1CCCl)S(=O)(=O)N
InChI
InChI=1S/C8H10ClNO2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKey
WKYSWWZJELJZLO-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

219.01208 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.019356 142.6
[M+Na]+ 242.001298 152.0
[M-H]- 218.004804 146.4
[M+NH4]+ 237.045903 162.1
[M+K]+ 257.975238 147.1
[M+H-H2O]+ 202.009340 138.1
[M+HCOO]- 264.010281 157.2
[M+CH3COO]- 278.025931 184.0
[M+Na-2H]- 239.986746 146.9
[M]+ 219.01153142 145.7
[M]- 219.01262858 145.7
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