CID 312699

1781-66-4

Structural Information

Molecular Formula

SMILES

C1C=CCC1Br

InChI

InChI=1S/C5H7Br/c6-5-3-1-2-4-5/h1-2,5H,3-4H2

InChIKey

GGKPXSIBMKNXJA-UHFFFAOYSA-N

Compound name

4-bromocyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 145.97311 Da
Monoisotopic Mass: 2.2
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]+	146.980386	124.6
[M+Na]+	168.962328	136.2
[M-H]-	144.965834	131.0
[M+NH4]+	164.006933	151.1
[M+K]+	184.936268	126.8
[M+H-H2O]+	128.970370	125.9
[M+HCOO]-	190.971311	147.3
[M+CH3COO]-	204.986961	171.4
[M+Na-2H]-	166.947776	132.5
[M]+	145.97256142	140.9
[M]-	145.97365858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe