CID 588057

1,3-bis-(5-chloro-2-methylphenyl)urea

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)NC2=C(C=CC(=C2)Cl)C
InChI
InChI=1S/C15H14Cl2N2O/c1-9-3-5-11(16)7-13(9)18-15(20)19-14-8-12(17)6-4-10(14)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKey
OKMNQSHZGJLOOK-UHFFFAOYSA-N
Compound name
1,3-bis(5-chloro-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0483 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05558 169.3
[M+Na]+ 331.03752 178.8
[M-H]- 307.04102 175.8
[M+NH4]+ 326.08212 185.5
[M+K]+ 347.01146 172.0
[M+H-H2O]+ 291.04556 163.5
[M+HCOO]- 353.04650 185.1
[M+CH3COO]- 367.06215 208.3
[M+Na-2H]- 329.02297 171.9
[M]+ 308.04775 172.5
[M]- 308.04885 172.5
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

patents stripe