CID 293517

1-(2-chloroethyl)-3-(5-chloro-2-methylphenyl)urea

Structural Information

Molecular Formula
C10H12Cl2N2O
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)NCCCl
InChI
InChI=1S/C10H12Cl2N2O/c1-7-2-3-8(12)6-9(7)14-10(15)13-5-4-11/h2-3,6H,4-5H2,1H3,(H2,13,14,15)
InChIKey
OANFTWCNGPKFCF-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(5-chloro-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03267 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.039946 152.7
[M+Na]+ 269.021888 161.1
[M-H]- 245.025394 155.8
[M+NH4]+ 264.066493 171.2
[M+K]+ 284.995828 155.7
[M+H-H2O]+ 229.029930 148.2
[M+HCOO]- 291.030871 168.7
[M+CH3COO]- 305.046521 195.4
[M+Na-2H]- 267.007336 156.7
[M]+ 246.03212142 155.3
[M]- 246.03321858 155.3
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

No patent data available for this compound.