CID 138040294

1995005-15-6

Structural Information

Molecular Formula
C10H12Cl2N2O
SMILES
CC1=C(C=C(C=C1Cl)NC(=O)N(C)C)Cl
InChI
InChI=1S/C10H12Cl2N2O/c1-6-8(11)4-7(5-9(6)12)13-10(15)14(2)3/h4-5H,1-3H3,(H,13,15)
InChIKey
HRVHKEKTLNYQNT-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-4-methylphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03267 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03995 152.0
[M+Na]+ 269.02189 161.5
[M-H]- 245.02539 157.0
[M+NH4]+ 264.06649 171.5
[M+K]+ 284.99583 157.6
[M+H-H2O]+ 229.02993 147.8
[M+HCOO]- 291.03087 168.6
[M+CH3COO]- 305.04652 200.0
[M+Na-2H]- 267.00734 154.7
[M]+ 246.03212 156.3
[M]- 246.03322 156.3
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.