CID 78582

Einecs 225-473-2

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₃

SMILES

C1=CC(=C(C=C1O)O)N=NC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C12H9ClN2O3/c13-7-1-4-11(17)10(5-7)15-14-9-3-2-8(16)6-12(9)18/h1-6,16-18H

InChIKey

HXIZKRMUCMXEQN-UHFFFAOYSA-N

Compound name

4-[(5-chloro-2-hydroxyphenyl)diazenyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 264.03018 Da
Monoisotopic Mass: 3.3
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]+	265.037456	154.1
[M+Na]+	287.019398	164.0
[M-H]-	263.022904	160.6
[M+NH4]+	282.064003	170.8
[M+K]+	302.993338	159.2
[M+H-H2O]+	247.027440	147.8
[M+HCOO]-	309.028381	176.0
[M+CH3COO]-	323.044031	196.8
[M+Na-2H]-	285.004846	160.2
[M]+	264.02963142	156.6
[M]-	264.03072858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe