CID 137541761

Schembl20788050

Structural Information

Molecular Formula

C₁₀H₇BrClN

SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)Br)Cl

InChI

InChI=1S/C10H7BrClN/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,13H2

InChIKey

FTPNBEWXFMRNLK-UHFFFAOYSA-N

Compound name

2-bromo-4-chloronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 254.94504 Da
Monoisotopic Mass: 4.5
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]+	255.95232	144.6
[M+Na]+	277.93426	158.7
[M-H]-	253.93776	151.7
[M+NH4]+	272.97886	167.2
[M+K]+	293.90820	144.8
[M+H-H2O]+	237.94230	145.6
[M+HCOO]-	299.94324	162.1
[M+CH3COO]-	313.95889	160.1
[M+Na-2H]-	275.91971	152.9
[M]+	254.94449	163.6
[M]-	254.94559	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe