CID 294119

1-(2-chloroethyl)-3-(2-chloro-6-methylphenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03267 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03995 152.7
[M+Na]+ 269.02189 161.1
[M-H]- 245.02539 155.8
[M+NH4]+ 264.06649 171.2
[M+K]+ 284.99583 155.7
[M+H-H2O]+ 229.02993 148.2
[M+HCOO]- 291.03087 168.7
[M+CH3COO]- 305.04652 195.4
[M+Na-2H]- 267.00734 156.7
[M]+ 246.03212 155.3
[M]- 246.03322 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

patents stripe