CID 7961

Bromobenzene

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)Br

InChI

InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

QARVLSVVCXYDNA-UHFFFAOYSA-N

Compound name

bromobenzene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 776
References: 126942
Patents: 155.95746 Da
Monoisotopic Mass: 3.0
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]+	156.964736	121.1
[M+Na]+	178.946678	133.1
[M-H]-	154.950184	127.8
[M+NH4]+	173.991283	145.7
[M+K]+	194.920618	123.1
[M+H-H2O]+	138.954720	122.4
[M+HCOO]-	200.955661	144.2
[M+CH3COO]-	214.971311	173.7
[M+Na-2H]-	176.932126	132.1
[M]+	155.95691142	138.7
[M]-	155.95800858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe