CID 68176

Thionyl bromide

Structural Information

Molecular Formula

SMILES

O=S(Br)Br

InChI

InChI=1S/Br2OS/c1-4(2)3

InChIKey

HFRXJVQOXRXOPP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 17608
Patents: 205.80367 Da
Monoisotopic Mass: 1.6
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]+	206.81095	104.4
[M+Na]+	228.79289	117.5
[M-H]-	204.79639	109.8
[M+NH4]+	223.83749	127.2
[M+K]+	244.76683	102.5
[M+H-H2O]+	188.80093	113.7
[M+HCOO]-	250.80187	117.8
[M+CH3COO]-	264.81752	187.7
[M+Na-2H]-	226.77834	112.7
[M]+	205.80312	139.2
[M]-	205.80422	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe