CID 15151163

4-bromo-2-phenyl-1h-indole

Structural Information

Molecular Formula

C₁₄H₁₀BrN

SMILES

C1=CC=C(C=C1)C2=CC3=C(N2)C=CC=C3Br

InChI

InChI=1S/C14H10BrN/c15-12-7-4-8-13-11(12)9-14(16-13)10-5-2-1-3-6-10/h1-9,16H

InChIKey

SLTMDHXJJXMPTO-UHFFFAOYSA-N

Compound name

4-bromo-2-phenyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 270.99966 Da
Monoisotopic Mass: 4.4
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]+	272.006936	154.0
[M+Na]+	293.988878	167.3
[M-H]-	269.992384	162.3
[M+NH4]+	289.033483	175.1
[M+K]+	309.962818	154.1
[M+H-H2O]+	253.996920	153.9
[M+HCOO]-	315.997861	175.3
[M+CH3COO]-	330.013511	169.0
[M+Na-2H]-	291.974326	162.1
[M]+	270.99911142	172.3
[M]-	271.00020858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe