CID 786879

61821-71-4

Structural Information

Molecular Formula

C₁₄H₁₀BrNO

SMILES

C1C(=NC2=CC=CC=C2O1)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H10BrNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8H,9H2

InChIKey

XQQPQMTYVGMIGW-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 286.99457 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.00185	156.4
[M+Na]+	309.98379	167.9
[M-H]-	285.98729	165.6
[M+NH4]+	305.02839	174.1
[M+K]+	325.95773	157.3
[M+H-H2O]+	269.99183	155.1
[M+HCOO]-	331.99277	174.8
[M+CH3COO]-	346.00842	170.6
[M+Na-2H]-	307.96924	166.2
[M]+	286.99402	174.7
[M]-	286.99512	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe