CID 111238

6797-44-0

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

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

InChI

InChI=1S/C10H9NO3/c1-7(12)9(11-14)10(13)8-5-3-2-4-6-8/h2-6,13H,1H3

InChIKey

UMQCXGGBHYGWTG-UHFFFAOYSA-N

Compound name

4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 126
Patents: 191.05824 Da
Monoisotopic Mass: 1.6
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]+	192.06552	140.5
[M+Na]+	214.04746	150.6
[M+NH4]+	209.09206	147.1
[M+K]+	230.02140	146.5
[M-H]-	190.05096	141.1
[M+Na-2H]-	212.03291	145.8
[M]+	191.05769	141.7
[M]-	191.05879	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe