CID 353540

2,7-diaminodibenzo[b,e][1,4]dioxine

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC2=C(C=C1N)OC3=C(O2)C=C(C=C3)N

InChI

InChI=1S/C12H10N2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H,13-14H2

InChIKey

BEDDLDBPAODZQH-UHFFFAOYSA-N

Compound name

dibenzo-p-dioxin-2,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 214.07423 Da
Monoisotopic Mass: 1.7
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]+	215.081506	144.1
[M+Na]+	237.063448	153.5
[M-H]-	213.066954	150.6
[M+NH4]+	232.108053	161.5
[M+K]+	253.037388	151.8
[M+H-H2O]+	197.071490	137.3
[M+HCOO]-	259.072431	165.2
[M+CH3COO]-	273.088081	157.4
[M+Na-2H]-	235.048896	154.2
[M]+	214.07368142	143.3
[M]-	214.07477858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe