CID 26369648

Biphenylene-2,6-diamine

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

C1=CC2=C3C=C(C=CC3=C2C=C1N)N

InChI

InChI=1S/C12H10N2/c13-7-1-3-9-11(5-7)10-4-2-8(14)6-12(9)10/h1-6H,13-14H2

InChIKey

NHKFQWGBZIMLPP-UHFFFAOYSA-N

Compound name

biphenylene-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 182.0844 Da
Monoisotopic Mass: 0.4
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]+	183.091676	136.9
[M+Na]+	205.073618	148.1
[M-H]-	181.077124	143.0
[M+NH4]+	200.118223	152.4
[M+K]+	221.047558	146.5
[M+H-H2O]+	165.081660	125.4
[M+HCOO]-	227.082601	163.1
[M+CH3COO]-	241.098251	151.3
[M+Na-2H]-	203.059066	147.0
[M]+	182.08385142	147.2
[M]-	182.08494858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe