CID 23098

2-nitrosonaphthalene

Structural Information

Molecular Formula

SMILES

C1=CC=C2C=C(C=CC2=C1)N=O

InChI

InChI=1S/C10H7NO/c12-11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

XHWGWRUGGACWLV-UHFFFAOYSA-N

Compound name

2-nitrosonaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 157.05276 Da
Monoisotopic Mass: 2.9
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]+	158.06004	127.1
[M+Na]+	180.04198	136.3
[M-H]-	156.04548	133.5
[M+NH4]+	175.08658	149.6
[M+K]+	196.01592	134.2
[M+H-H2O]+	140.05002	120.9
[M+HCOO]-	202.05096	154.3
[M+CH3COO]-	216.06661	181.5
[M+Na-2H]-	178.02743	138.4
[M]+	157.05221	128.4
[M]-	157.05331	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe