CID 46838144

1234707-32-4

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

9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.