CID 135574104

847872-04-2

Structural Information

Molecular Formula

C₁₂H₈F₂N₂O

SMILES

C1=CC=C(C=C1)N=NC2=C(C(=C(C=C2)O)F)F

InChI

InChI=1S/C12H8F2N2O/c13-11-9(6-7-10(17)12(11)14)16-15-8-4-2-1-3-5-8/h1-7,17H

InChIKey

MELBVUPITCGHMO-UHFFFAOYSA-N

Compound name

2,3-difluoro-4-phenyldiazenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 234.06047 Da
Monoisotopic Mass: 3.5
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]+	235.06775	146.0
[M+Na]+	257.04969	155.5
[M-H]-	233.05319	152.3
[M+NH4]+	252.09429	164.2
[M+K]+	273.02363	151.9
[M+H-H2O]+	217.05773	136.5
[M+HCOO]-	279.05867	172.9
[M+CH3COO]-	293.07432	197.7
[M+Na-2H]-	255.03514	153.0
[M]+	234.05992	144.5
[M]-	234.06102	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe