CID 6446146

(2-(3-(p-tolyl)ureido)vinyl)phosphonic dichloride

Structural Information

Molecular Formula
C10H11Cl2N2O2P
SMILES
CC1=CC=C(C=C1)NC(=O)N/C=C/P(=O)(Cl)Cl
InChI
InChI=1S/C10H11Cl2N2O2P/c1-8-2-4-9(5-3-8)14-10(15)13-6-7-17(11,12)16/h2-7H,1H3,(H2,13,14,15)/b7-6+
InChIKey
DESTYOIDZABDFT-VOTSOKGWSA-N
Compound name
1-[(E)-2-dichlorophosphorylethenyl]-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.99353 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.00081 161.5
[M+Na]+ 314.98275 169.7
[M-H]- 290.98625 163.9
[M+NH4]+ 310.02735 178.6
[M+K]+ 330.95669 163.9
[M+H-H2O]+ 274.99079 155.1
[M+HCOO]- 336.99173 181.8
[M+CH3COO]- 351.00738 201.0
[M+Na-2H]- 312.96820 163.8
[M]+ 291.99298 164.7
[M]- 291.99408 164.7
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.