CID 68176

Thionyl bromide

Structural Information

Molecular Formula
Br2OS
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
4
Annotation Hits

2
References

18944
Patents

205.80367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.810946 104.4
[M+Na]+ 228.792888 117.5
[M-H]- 204.796394 109.8
[M+NH4]+ 223.837493 127.2
[M+K]+ 244.766828 102.5
[M+H-H2O]+ 188.800930 113.7
[M+HCOO]- 250.801871 117.8
[M+CH3COO]- 264.817521 187.7
[M+Na-2H]- 226.778336 112.7
[M]+ 205.80312142 139.2
[M]- 205.80421858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe