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

7
Patents

212.07164 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 146.2
[M+Na]+ 235.06086 152.3
[M-H]- 211.06436 149.3
[M+NH4]+ 230.10546 165.0
[M+K]+ 251.03480 148.4
[M+H-H2O]+ 195.06890 140.4
[M+HCOO]- 257.06984 167.3
[M+CH3COO]- 271.08549 188.5
[M+Na-2H]- 233.04631 152.6
[M]+ 212.07109 146.9
[M]- 212.07219 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