CID 6446151

Brn 2868842

Structural Information

Molecular Formula
C9H8BrCl2N2O2P
SMILES
C1=CC(=CC=C1NC(=O)N/C=C/P(=O)(Cl)Cl)Br
InChI
InChI=1S/C9H8BrCl2N2O2P/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
TZAGVWFNIVEUEW-AATRIKPKSA-N
Compound name
1-(4-bromophenyl)-3-[(E)-2-dichlorophosphorylethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.88837 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.89565 170.9
[M+Na]+ 378.87759 182.7
[M-H]- 354.88109 175.7
[M+NH4]+ 373.92219 188.9
[M+K]+ 394.85153 167.3
[M+H-H2O]+ 338.88563 169.3
[M+HCOO]- 400.88657 188.5
[M+CH3COO]- 414.90222 206.8
[M+Na-2H]- 376.86304 174.2
[M]+ 355.88782 191.3
[M]- 355.88892 191.3
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.