CID 18430

Epibromohydrin

Structural Information

Molecular Formula

SMILES

C1C(O1)CBr

InChI

InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2

InChIKey

GKIPXFAANLTWBM-UHFFFAOYSA-N

Compound name

2-(bromomethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 33273
Patents: 135.95238 Da
Monoisotopic Mass: 0.8
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]+	136.959656	119.9
[M+Na]+	158.941598	133.8
[M-H]-	134.945104	128.3
[M+NH4]+	153.986203	139.5
[M+K]+	174.915538	125.4
[M+H-H2O]+	118.949640	120.0
[M+HCOO]-	180.950581	141.9
[M+CH3COO]-	194.966231	173.8
[M+Na-2H]-	156.927046	131.0
[M]+	135.95183142	140.8
[M]-	135.95292858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe