CID 117547

3-(4-chloro-2-hydroxyphenyl)-1,1-dimethylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 144.3
[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

patents stripe