CID 6861488

Isonitrosoacetanilide

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

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

InChI

InChI=1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b9-6+

InChIKey

UFNDNNCDEFJCHU-RMKNXTFCSA-N

Compound name

(2E)-2-hydroxyimino-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 295
Patents: 164.05858 Da
Monoisotopic Mass: 1.8
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]+	165.065856	131.8
[M+Na]+	187.047798	138.3
[M-H]-	163.051304	135.5
[M+NH4]+	182.092403	151.6
[M+K]+	203.021738	136.8
[M+H-H2O]+	147.055840	125.4
[M+HCOO]-	209.056781	158.6
[M+CH3COO]-	223.072431	179.8
[M+Na-2H]-	185.033246	139.9
[M]+	164.05803142	130.5
[M]-	164.05912858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe