CID 4052037

16504-39-5

Structural Information

Molecular Formula

C₁₅H₁₁Br

SMILES

CC(=C1C2=CC=CC=C2C3=CC=CC=C31)Br

InChI

InChI=1S/C15H11Br/c1-10(16)15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3

InChIKey

RCJZQEPPACNPLD-UHFFFAOYSA-N

Compound name

9-(1-bromoethylidene)fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.00443 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]+	271.01171	158.4
[M+Na]+	292.99365	170.9
[M-H]-	268.99715	166.7
[M+NH4]+	288.03825	182.4
[M+K]+	308.96759	158.3
[M+H-H2O]+	253.00169	159.2
[M+HCOO]-	315.00263	178.3
[M+CH3COO]-	329.01828	173.3
[M+Na-2H]-	290.97910	164.6
[M]+	270.00388	176.5
[M]-	270.00498	176.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.