CID 6446150

Brn 2868837

Structural Information

Molecular Formula
C9H8Cl3N2O2P
SMILES
C1=CC(=CC=C1NC(=O)N/C=C/P(=O)(Cl)Cl)Cl
InChI
InChI=1S/C9H8Cl3N2O2P/c10-7-1-3-8(4-2-7)14-9(15)13-5-6-17(11,12)16/h1-6H,(H2,13,14,15)/b6-5+
InChIKey
IMJIAHUKGWLBAR-AATRIKPKSA-N
Compound name
1-(4-chlorophenyl)-3-[(E)-2-dichlorophosphorylethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.9389 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.94618 162.1
[M+Na]+ 334.92812 170.7
[M-H]- 310.93162 163.6
[M+NH4]+ 329.97272 178.4
[M+K]+ 350.90206 164.2
[M+H-H2O]+ 294.93616 156.7
[M+HCOO]- 356.93710 177.2
[M+CH3COO]- 370.95275 203.1
[M+Na-2H]- 332.91357 164.0
[M]+ 311.93835 165.1
[M]- 311.93945 165.1
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.