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]+ 215.05818 144.8
[M+Na]+ 237.04012 151.6
[M-H]- 213.04362 147.2
[M+NH4]+ 232.08472 163.0
[M+K]+ 253.01406 148.1
[M+H-H2O]+ 197.04816 139.7
[M+HCOO]- 259.04910 164.1
[M+CH3COO]- 273.06475 187.2
[M+Na-2H]- 235.02557 149.3
[M]+ 214.05035 144.5
[M]- 214.05145 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.