CID 68407

Bromoiodomethane

Structural Information

Molecular Formula

SMILES

C(Br)I

InChI

InChI=1S/CH2BrI/c2-1-3/h1H2

InChIKey

TUDWMIUPYRKEFN-UHFFFAOYSA-N

Compound name

bromo(iodo)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 579
Patents: 219.83846 Da
Monoisotopic Mass: 1.7
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]+	220.84574	120.1
[M+Na]+	242.82768	125.8
[M-H]-	218.83118	117.5
[M+NH4]+	237.87228	141.4
[M+K]+	258.80162	122.7
[M+H-H2O]+	202.83572	118.3
[M+HCOO]-	264.83666	138.0
[M+CH3COO]-	278.85231	176.0
[M+Na-2H]-	240.81313	118.8
[M]+	219.83791	134.7
[M]-	219.83901	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe