CID 84549

Bis-tribromomethyl sulfoxide

Structural Information

Molecular Formula
C2Br6OS
SMILES
C(S(=O)C(Br)(Br)Br)(Br)(Br)Br
InChI
InChI=1S/C2Br6OS/c3-1(4,5)10(9)2(6,7)8
InChIKey
IMXXWWGWTMVZBZ-UHFFFAOYSA-N
Compound name
tribromo(tribromomethylsulfinyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

545.477 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.48428 167.1
[M+Na]+ 568.46622 166.4
[M+NH4]+ 563.51082 167.4
[M+K]+ 584.44016 167.6
[M-H]- 544.46972 167.6
[M+Na-2H]- 566.45167 167.6
[M]+ 545.47645 167.4
[M]- 545.47755 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe