CID 3025290

102433-51-2

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CC(NC(=O)NC1=CC=C(C=C1)O)Cl
InChI
InChI=1S/C9H11ClN2O2/c1-6(10)11-9(14)12-7-2-4-8(13)5-3-7/h2-6,13H,1H3,(H2,11,12,14)
InChIKey
QREBJNFIDBRDJL-UHFFFAOYSA-N
Compound name
1-(1-chloroethyl)-3-(4-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.058176 144.8
[M+Na]+ 237.040118 151.6
[M-H]- 213.043624 147.2
[M+NH4]+ 232.084723 163.0
[M+K]+ 253.014058 148.1
[M+H-H2O]+ 197.048160 139.7
[M+HCOO]- 259.049101 164.1
[M+CH3COO]- 273.064751 187.2
[M+Na-2H]- 235.025566 149.3
[M]+ 214.05035142 144.5
[M]- 214.05144858 144.5
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.