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]+ 245.050996 151.5
[M+Na]+ 267.032938 158.5
[M-H]- 243.036444 155.1
[M+NH4]+ 262.077543 169.9
[M+K]+ 283.006878 153.5
[M+H-H2O]+ 227.040980 145.9
[M+HCOO]- 289.041921 167.2
[M+CH3COO]- 303.057571 193.4
[M+Na-2H]- 265.018386 154.4
[M]+ 244.04317142 154.6
[M]- 244.04426858 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.