CID 150930

1556-34-9

Structural Information

Molecular Formula

C₁₄H₁₀BrN

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CBr

InChI

InChI=1S/C14H10BrN/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8H,9H2

InChIKey

MZFYKBHQWLWIBI-UHFFFAOYSA-N

Compound name

9-(bromomethyl)acridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 64
Patents: 270.99966 Da
Monoisotopic Mass: 4.1
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]+	272.006936	151.5
[M+Na]+	293.988878	164.9
[M-H]-	269.992384	158.6
[M+NH4]+	289.033483	172.5
[M+K]+	309.962818	152.4
[M+H-H2O]+	253.996920	150.9
[M+HCOO]-	315.997861	171.7
[M+CH3COO]-	330.013511	166.5
[M+Na-2H]-	291.974326	163.3
[M]+	270.99911142	171.7
[M]-	271.00020858	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe