CID 75253

2246-46-0

Structural Information

Molecular Formula

C₉H₇N₃O₂S

SMILES

C1=CC(=C(C=C1O)O)N=NC2=NC=CS2

InChI

InChI=1S/C9H7N3O2S/c13-6-1-2-7(8(14)5-6)11-12-9-10-3-4-15-9/h1-5,13-14H

InChIKey

SHNIKUXMZFPPCS-UHFFFAOYSA-N

Compound name

4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 300
Patents: 221.0259 Da
Monoisotopic Mass: 2.4
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]+	222.03318	143.0
[M+Na]+	244.01512	152.6
[M-H]-	220.01862	149.7
[M+NH4]+	239.05972	162.0
[M+K]+	259.98906	149.1
[M+H-H2O]+	204.02316	135.8
[M+HCOO]-	266.02410	166.1
[M+CH3COO]-	280.03975	188.0
[M+Na-2H]-	242.00057	147.9
[M]+	221.02535	145.4
[M]-	221.02645	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe