CID 105357

66304-05-0

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₆

SMILES

C1=CC(=C2C(=C1NO)C(=C3C(=CC=C(C3=C2O)N=O)O)O)O

InChI

InChI=1S/C14H10N2O6/c17-7-3-1-5(15-21)9-11(7)14(20)10-6(16-22)2-4-8(18)12(10)13(9)19/h1-4,15,17-21H

InChIKey

YERFXVUXKUWRAC-UHFFFAOYSA-N

Compound name

4-(hydroxyamino)-8-nitrosoanthracene-1,5,9,10-tetrol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 302.0539 Da
Monoisotopic Mass: 3.0
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]+	303.061176	159.9
[M+Na]+	325.043118	170.9
[M-H]-	301.046624	162.3
[M+NH4]+	320.087723	174.6
[M+K]+	341.017058	167.2
[M+H-H2O]+	285.051160	153.5
[M+HCOO]-	347.052101	180.7
[M+CH3COO]-	361.067751	204.4
[M+Na-2H]-	323.028566	167.5
[M]+	302.05335142	162.8
[M]-	302.05444858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.