CID 6446147

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

Structural Information

Molecular Formula
C10H11Cl2N2O3P
SMILES
COC1=CC=C(C=C1)NC(=O)N/C=C/P(=O)(Cl)Cl
InChI
InChI=1S/C10H11Cl2N2O3P/c1-17-9-4-2-8(3-5-9)14-10(15)13-6-7-18(11,12)16/h2-7H,1H3,(H2,13,14,15)/b7-6+
InChIKey
DGBHJSBNAOQZAR-VOTSOKGWSA-N
Compound name
1-[(E)-2-dichlorophosphorylethenyl]-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.98843 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99571 163.3
[M+Na]+ 330.97765 171.3
[M-H]- 306.98115 165.7
[M+NH4]+ 326.02225 179.7
[M+K]+ 346.95159 166.2
[M+H-H2O]+ 290.98569 156.7
[M+HCOO]- 352.98663 183.9
[M+CH3COO]- 367.00228 203.1
[M+Na-2H]- 328.96310 165.9
[M]+ 307.98788 167.9
[M]- 307.98898 167.9
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.