CID 165363156

Cyclaniliprole metabolite (bpqo)

Structural Information

Molecular Formula
C12H5BrCl2N2O
SMILES
C1=CN2C(=NC3=C(C2=O)C=C(C=C3Br)Cl)C(=C1)Cl
InChI
InChI=1S/C12H5BrCl2N2O/c13-8-5-6(14)4-7-10(8)16-11-9(15)2-1-3-17(11)12(7)18/h1-5H
InChIKey
XBIGGIBETLKYRG-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dichloropyrido[2,1-b]quinazolin-11-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.89624 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.90352 155.8
[M+Na]+ 364.88546 174.0
[M-H]- 340.88896 161.8
[M+NH4]+ 359.93006 174.8
[M+K]+ 380.85940 159.4
[M+H-H2O]+ 324.89350 155.9
[M+HCOO]- 386.89444 166.3
[M+CH3COO]- 400.91009 170.8
[M+Na-2H]- 362.87091 165.8
[M]+ 341.89569 180.4
[M]- 341.89679 180.4
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.