CID 293440

102433-61-4

Structural Information

Molecular Formula
C10H13ClN2OS
SMILES
CSC1=CC=CC(=C1)NC(=O)NCCCl
InChI
InChI=1S/C10H13ClN2OS/c1-15-9-4-2-3-8(7-9)13-10(14)12-6-5-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChIKey
JAQDDUFJBPBWOL-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3-methylsulfanylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05100 151.5
[M+Na]+ 267.03294 158.5
[M-H]- 243.03644 155.1
[M+NH4]+ 262.07754 169.9
[M+K]+ 283.00688 153.5
[M+H-H2O]+ 227.04098 145.9
[M+HCOO]- 289.04192 167.2
[M+CH3COO]- 303.05757 193.4
[M+Na-2H]- 265.01839 154.4
[M]+ 244.04317 154.6
[M]- 244.04427 154.6
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.