CID 6446152

Brn 2868846

Structural Information

Molecular Formula
C9H8Cl2IN2O2P
SMILES
C1=CC(=CC=C1NC(=O)N/C=C/P(=O)(Cl)Cl)I
InChI
InChI=1S/C9H8Cl2IN2O2P/c10-17(11,16)6-5-13-9(15)14-8-3-1-7(12)2-4-8/h1-6H,(H2,13,14,15)/b6-5+
InChIKey
VYAKYERJTLSWLO-AATRIKPKSA-N
Compound name
1-[(E)-2-dichlorophosphorylethenyl]-3-(4-iodophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.8745 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.88178 173.2
[M+Na]+ 426.86372 174.4
[M-H]- 402.86722 168.8
[M+NH4]+ 421.90832 185.2
[M+K]+ 442.83766 174.5
[M+H-H2O]+ 386.87176 163.1
[M+HCOO]- 448.87270 188.5
[M+CH3COO]- 462.88835 208.2
[M+Na-2H]- 424.84917 163.6
[M]+ 403.87395 173.3
[M]- 403.87505 173.3
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.