CID 6445926

Brn 2127250

Structural Information

Molecular Formula
C9H9Cl2N2O2P
SMILES
C1=CC=C(C=C1)NC(=O)N/C=C/P(=O)(Cl)Cl
InChI
InChI=1S/C9H9Cl2N2O2P/c10-16(11,15)7-6-12-9(14)13-8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)/b7-6+
InChIKey
UDDGJUMBINIGED-VOTSOKGWSA-N
Compound name
1-[(E)-2-dichlorophosphorylethenyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.97787 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98515 157.0
[M+Na]+ 300.96709 164.6
[M-H]- 276.97059 159.1
[M+NH4]+ 296.01169 174.3
[M+K]+ 316.94103 159.0
[M+H-H2O]+ 260.97513 150.5
[M+HCOO]- 322.97607 177.6
[M+CH3COO]- 336.99172 196.9
[M+Na-2H]- 298.95254 160.4
[M]+ 277.97732 159.4
[M]- 277.97842 159.4
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.