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]+ 275.02516 157.1
[M+Na]+ 297.00710 164.9
[M-H]- 273.01060 161.0
[M+NH4]+ 292.05170 174.0
[M+K]+ 312.98104 159.6
[M+H-H2O]+ 257.01514 151.7
[M+HCOO]- 319.01608 172.2
[M+CH3COO]- 333.03173 195.5
[M+Na-2H]- 294.99255 161.0
[M]+ 274.01733 160.4
[M]- 274.01843 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.