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

8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.