CID 98726

Urea, 1-benzyl-3-(2-chloroethyl)-

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
C1=CC=C(C=C1)CNC(=O)NCCCl
InChI
InChI=1S/C10H13ClN2O/c11-6-7-12-10(14)13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13,14)
InChIKey
CNQHZLLOIIQGKB-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-chloroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

212.07164 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 146.2
[M+Na]+ 235.060858 152.3
[M-H]- 211.064364 149.3
[M+NH4]+ 230.105463 165.0
[M+K]+ 251.034798 148.4
[M+H-H2O]+ 195.068900 140.4
[M+HCOO]- 257.069841 167.3
[M+CH3COO]- 271.085491 188.5
[M+Na-2H]- 233.046306 152.6
[M]+ 212.07109142 146.9
[M]- 212.07218858 146.9
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