CID 6359

Bromodichloromethane

Structural Information

Molecular Formula

SMILES

C(Cl)(Cl)Br

InChI

InChI=1S/CHBrCl2/c2-1(3)4/h1H

InChIKey

FMWLUWPQPKEARP-UHFFFAOYSA-N

Compound name

bromo(dichloro)methane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 294
References: 5571
Patents: 161.86388 Da
Monoisotopic Mass: 2.4
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]+	162.87116	116.0
[M+Na]+	184.85310	130.1
[M-H]-	160.85660	119.2
[M+NH4]+	179.89770	141.5
[M+K]+	200.82704	117.8
[M+H-H2O]+	144.86114	119.6
[M+HCOO]-	206.86208	128.8
[M+CH3COO]-	220.87773	173.4
[M+Na-2H]-	182.83855	124.8
[M]+	161.86333	135.3
[M]-	161.86443	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe