CID 11473

Nitrosobenzene

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H

InChIKey

NLRKCXQQSUWLCH-UHFFFAOYSA-N

Compound name

nitrosobenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 155
References: 7604
Patents: 107.03712 Da
Monoisotopic Mass: 2.0
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]+	108.04440	115.0
[M+Na]+	130.02634	123.6
[M-H]-	106.02984	120.5
[M+NH4]+	125.07094	138.3
[M+K]+	146.00028	123.3
[M+H-H2O]+	90.034380	109.5
[M+HCOO]-	152.03532	143.6
[M+CH3COO]-	166.05097	170.8
[M+Na-2H]-	128.01179	125.8
[M]+	107.03657	115.8
[M]-	107.03767	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe