CID 46838144

2-(2-bromophenyl)-5-chloro-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C14H7BrClNO2
SMILES
C1=CC=C(C(=C1)C2=NC3=C(C(=CC=C3)Cl)C(=O)O2)Br
InChI
InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
InChIKey
WXWVDINGZQKMMS-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

334.93488 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.94216 162.1
[M+Na]+ 357.92410 177.3
[M-H]- 333.92760 172.2
[M+NH4]+ 352.96870 179.4
[M+K]+ 373.89804 165.1
[M+H-H2O]+ 317.93214 161.3
[M+HCOO]- 379.93308 177.6
[M+CH3COO]- 393.94873 177.1
[M+Na-2H]- 355.90955 171.2
[M]+ 334.93433 185.3
[M]- 334.93543 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe