CID 9566037

Isonitrosoacetophenone

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6+

InChIKey

MLNKXLRYCLKJSS-RMKNXTFCSA-N

Compound name

(2E)-2-hydroxyimino-1-phenylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 608
Patents: 149.04768 Da
Monoisotopic Mass: 2.1
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]+	150.05496	129.3
[M+Na]+	172.03690	141.1
[M+NH4]+	167.08150	137.4
[M+K]+	188.01084	135.3
[M-H]-	148.04040	131.3
[M+Na-2H]-	170.02235	136.6
[M]+	149.04713	131.3
[M]-	149.04823	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe