CID 209450

Urea, 1-allyl-3-(p-chlorobenzenesulfonyl)-

Structural Information

Molecular Formula
C10H11ClN2O3S
SMILES
C=CCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H2,12,13,14)
InChIKey
XOJOKGIJLOFQKV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.01788 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.025156 157.1
[M+Na]+ 297.007098 164.9
[M-H]- 273.010604 161.0
[M+NH4]+ 292.051703 174.0
[M+K]+ 312.981038 159.6
[M+H-H2O]+ 257.015140 151.7
[M+HCOO]- 319.016081 172.2
[M+CH3COO]- 333.031731 195.5
[M+Na-2H]- 294.992546 161.0
[M]+ 274.01733142 160.4
[M]- 274.01842858 160.4
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.