CID 343262

[2brme-9me-neocuproine]2 cu+

Structural Information

Molecular Formula

C₁₄H₁₁BrN₂

SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)CBr

InChI

InChI=1S/C14H11BrN2/c1-9-2-3-10-4-5-11-6-7-12(8-15)17-14(11)13(10)16-9/h2-7H,8H2,1H3

InChIKey

GPURSUXESGDBGT-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-9-methyl-1,10-phenanthroline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 286.01056 Da
Monoisotopic Mass: 3.5
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]+	287.01784	155.3
[M+Na]+	308.99978	169.6
[M-H]-	285.00328	161.4
[M+NH4]+	304.04438	174.8
[M+K]+	324.97372	156.9
[M+H-H2O]+	269.00782	154.1
[M+HCOO]-	331.00876	174.3
[M+CH3COO]-	345.02441	170.0
[M+Na-2H]-	306.98523	166.6
[M]+	286.01001	176.4
[M]-	286.01111	176.4

Literature stripe

literature stripe

Patent stripe

patents stripe