CID 3637487

2-(4-bromophenyl)-7,9-dichloro-5-(3,4-dichlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C22H13BrCl4N2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=C(C=C4)Br)C5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C22H13BrCl4N2O/c23-13-4-1-11(2-5-13)19-10-20-15-8-14(24)9-18(27)21(15)30-22(29(20)28-19)12-3-6-16(25)17(26)7-12/h1-9,20,22H,10H2
InChIKey
YDQGHQYFYIXDJU-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-7,9-dichloro-5-(3,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.89655 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.903826 211.3
[M+Na]+ 562.885768 226.0
[M-H]- 538.889274 219.1
[M+NH4]+ 557.930373 222.4
[M+K]+ 578.859708 212.9
[M+H-H2O]+ 522.893810 208.7
[M+HCOO]- 584.894751 206.2
[M+CH3COO]- 598.910401 220.3
[M+Na-2H]- 560.871216 209.8
[M]+ 539.89600142 232.1
[M]- 539.89709858 232.1
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.