CID 22392517

444796-09-2

Structural Information

Molecular Formula

C₁₈H₁₁Br₂N

SMILES

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br

InChI

InChI=1S/C18H11Br2N/c19-12-6-8-15-16-9-7-13(20)11-18(16)21(17(15)10-12)14-4-2-1-3-5-14/h1-11H

InChIKey

MDXCDMSVFQIDGN-UHFFFAOYSA-N

Compound name

2,7-dibromo-9-phenylcarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 398.9258 Da
Monoisotopic Mass: 6.4
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]+	399.93308	170.8
[M+Na]+	421.91502	183.2
[M-H]-	397.91852	181.0
[M+NH4]+	416.95962	189.0
[M+K]+	437.88896	168.1
[M+H-H2O]+	381.92306	179.0
[M+HCOO]-	443.92400	186.6
[M+CH3COO]-	457.93965	184.2
[M+Na-2H]-	419.90047	177.3
[M]+	398.92525	206.2
[M]-	398.92635	206.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe