CID 21879628

6-bromo-n-methyl-2-naphtamide

Structural Information

Molecular Formula

C₁₂H₁₀BrNO

SMILES

CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

InChI

InChI=1S/C12H10BrNO/c1-14-12(15)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3,(H,14,15)

InChIKey

HPUCFMPIKISIIO-UHFFFAOYSA-N

Compound name

6-bromo-N-methylnaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 262.99457 Da
Monoisotopic Mass: 3.1
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]+	264.001846	149.6
[M+Na]+	285.983788	160.8
[M-H]-	261.987294	156.8
[M+NH4]+	281.028393	170.7
[M+K]+	301.957728	149.2
[M+H-H2O]+	245.991830	149.1
[M+HCOO]-	307.992771	170.8
[M+CH3COO]-	322.008421	195.9
[M+Na-2H]-	283.969236	157.7
[M]+	262.99402142	167.9
[M]-	262.99511858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe