CID 6446148

Brn 2871193

Structural Information

Molecular Formula
C11H13Cl2N2O2P
SMILES
CC1=CC(=C(C=C1)NC(=O)N/C=C/P(=O)(Cl)Cl)C
InChI
InChI=1S/C11H13Cl2N2O2P/c1-8-3-4-10(9(2)7-8)15-11(16)14-5-6-18(12,13)17/h3-7H,1-2H3,(H2,14,15,16)/b6-5+
InChIKey
MEPWPJMAVFDUSU-AATRIKPKSA-N
Compound name
1-[(E)-2-dichlorophosphorylethenyl]-3-(2,4-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.00916 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01644 166.0
[M+Na]+ 328.99838 174.6
[M-H]- 305.00188 168.5
[M+NH4]+ 324.04298 182.8
[M+K]+ 344.97232 168.7
[M+H-H2O]+ 289.00642 159.7
[M+HCOO]- 351.00736 185.9
[M+CH3COO]- 365.02301 205.2
[M+Na-2H]- 326.98383 167.1
[M]+ 306.00861 169.9
[M]- 306.00971 169.9
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.