CID 270675

2-acetyl-7-bromofluorene

Structural Information

Molecular Formula

C₁₅H₁₁BrO

SMILES

CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)Br

InChI

InChI=1S/C15H11BrO/c1-9(17)10-2-4-14-11(6-10)7-12-8-13(16)3-5-15(12)14/h2-6,8H,7H2,1H3

InChIKey

KHWBLOWMPKTMRI-UHFFFAOYSA-N

Compound name

1-(7-bromo-9H-fluoren-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 285.99933 Da
Monoisotopic Mass: 4.1
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]+	287.006606	160.8
[M+Na]+	308.988548	173.8
[M-H]-	284.992054	169.4
[M+NH4]+	304.033153	184.4
[M+K]+	324.962488	161.8
[M+H-H2O]+	268.996590	161.5
[M+HCOO]-	330.997531	180.8
[M+CH3COO]-	345.013181	175.9
[M+Na-2H]-	306.973996	166.4
[M]+	285.99878142	180.7
[M]-	285.99987858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe