CID 315320

N,n-bis(2-chloroethyl)benzenesulfonamide

Structural Information

Molecular Formula
C10H13Cl2NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C10H13Cl2NO2S/c11-6-8-13(9-7-12)16(14,15)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
RVQHTQXSEYERJS-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

281.0044 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01168 157.0
[M+Na]+ 303.99362 165.0
[M-H]- 279.99712 161.6
[M+NH4]+ 299.03822 175.0
[M+K]+ 319.96756 160.1
[M+H-H2O]+ 264.00166 152.4
[M+HCOO]- 326.00260 167.0
[M+CH3COO]- 340.01825 197.4
[M+Na-2H]- 301.97907 160.6
[M]+ 281.00385 163.7
[M]- 281.00495 163.7
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