CID 135602216

1,6-dihydroxy-2-chlorophenazine

Structural Information

Molecular Formula

C₁₂H₇ClN₂O₂

SMILES

C1=CC2=C(C(=C1)O)N=C3C=CC(=C(C3=N2)O)Cl

InChI

InChI=1S/C12H7ClN2O2/c13-6-4-5-8-11(12(6)17)15-7-2-1-3-9(16)10(7)14-8/h1-5,16-17H

InChIKey

PFRLSIGYPXAHNU-UHFFFAOYSA-N

Compound name

2-chlorophenazine-1,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 246.0196 Da
Monoisotopic Mass: 2.6
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]+	247.02688	149.2
[M+Na]+	269.00882	167.4
[M+NH4]+	264.05342	158.4
[M+K]+	284.98276	159.1
[M-H]-	245.01232	151.8
[M+Na-2H]-	266.99427	157.2
[M]+	246.01905	153.0
[M]-	246.02015	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe