CID 3019449

3-(3-chloro-2-hydroxyphenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
CN(C)C(=O)NC1=C(C(=CC=C1)Cl)O
InChI
InChI=1S/C9H11ClN2O2/c1-12(2)9(14)11-7-5-3-4-6(10)8(7)13/h3-5,13H,1-2H3,(H,11,14)
InChIKey
IFFCYOSBJAYENL-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-hydroxyphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.058176 144.3
[M+Na]+ 237.040118 152.4
[M-H]- 213.043624 148.5
[M+NH4]+ 232.084723 163.6
[M+K]+ 253.014058 149.9
[M+H-H2O]+ 197.048160 139.2
[M+HCOO]- 259.049101 165.1
[M+CH3COO]- 273.064751 190.9
[M+Na-2H]- 235.025566 148.6
[M]+ 214.05035142 146.3
[M]- 214.05144858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.