CID 139946

1-(2-chlorophenyl)-3-methylurea

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CNC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C8H9ClN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChIKey
NFUCGJBURDOBPQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

184.04034 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 136.9
[M+Na]+ 207.029558 144.9
[M-H]- 183.033064 140.9
[M+NH4]+ 202.074163 157.3
[M+K]+ 223.003498 141.5
[M+H-H2O]+ 167.037600 131.9
[M+HCOO]- 229.038541 158.8
[M+CH3COO]- 243.054191 183.6
[M+Na-2H]- 205.015006 143.7
[M]+ 184.03979142 137.3
[M]- 184.04088858 137.3
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