CID 3085583

Sulfur hexabromide

Structural Information

Molecular Formula
Br6S
SMILES
S(Br)(Br)(Br)(Br)(Br)Br
InChI
InChI=1S/Br6S/c1-7(2,3,4,5)6
InChIKey
IIXHFXCJFMTLBF-UHFFFAOYSA-N
Compound name
hexabromo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

505.4821 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.489376 169.0
[M+Na]+ 528.471318 179.5
[M-H]- 504.474824 172.9
[M+NH4]+ 523.515923 175.5
[M+K]+ 544.445258 168.3
[M+H-H2O]+ 488.479360 183.3
[M+HCOO]- 550.480301 171.7
[M+CH3COO]- 564.495951 249.1
[M+Na-2H]- 526.456766 168.5
[M]+ 505.48155142 190.0
[M]- 505.48264858 190.0
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