CID 4410045

N-(4-chlorobenzyl)-n-methylsulfamide

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C8H11ClN2O2S/c1-11(14(10,12)13)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKey
IEDCBDWCOSFHOJ-UHFFFAOYSA-N
Compound name
1-chloro-4-[[methyl(sulfamoyl)amino]methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.02298 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.030256 146.6
[M+Na]+ 257.012198 155.2
[M-H]- 233.015704 151.7
[M+NH4]+ 252.056803 165.7
[M+K]+ 272.986138 151.6
[M+H-H2O]+ 217.020240 141.4
[M+HCOO]- 279.021181 162.6
[M+CH3COO]- 293.036831 192.3
[M+Na-2H]- 254.997646 150.7
[M]+ 234.02243142 150.2
[M]- 234.02352858 150.2
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