CID 28435

Acetanilide, 4'-(bis(2-chloroethyl)sulfamoyl)-

Structural Information

Molecular Formula
C12H16Cl2N2O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
InChI
InChI=1S/C12H16Cl2N2O3S/c1-10(17)15-11-2-4-12(5-3-11)20(18,19)16(8-6-13)9-7-14/h2-5H,6-9H2,1H3,(H,15,17)
InChIKey
ZZMBNTSBFXXLIU-UHFFFAOYSA-N
Compound name
N-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

338.02588 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03316 171.6
[M+Na]+ 361.01510 178.5
[M-H]- 337.01860 176.2
[M+NH4]+ 356.05970 187.0
[M+K]+ 376.98904 173.6
[M+H-H2O]+ 321.02314 166.6
[M+HCOO]- 383.02408 181.4
[M+CH3COO]- 397.03973 210.5
[M+Na-2H]- 359.00055 173.4
[M]+ 338.02533 178.8
[M]- 338.02643 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe