CID 5142461

132493-79-9

Structural Information

Molecular Formula

C₁₄H₁₀BrN

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N)Br

InChI

InChI=1S/C14H10BrN/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,16H2

InChIKey

YPGMYQWDJNTPSA-UHFFFAOYSA-N

Compound name

10-bromophenanthren-9-amine

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]+	272.00694	152.3
[M+Na]+	293.98888	165.6
[M-H]-	269.99238	160.4
[M+NH4]+	289.03348	174.1
[M+K]+	309.96282	152.6
[M+H-H2O]+	253.99692	151.9
[M+HCOO]-	315.99786	173.9
[M+CH3COO]-	330.01351	167.4
[M+Na-2H]-	291.97433	162.6
[M]+	270.99911	170.7
[M]-	271.00021	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe