CID 167239

Bis(trichloromethyl) disulfide

Structural Information

Molecular Formula
C2Cl6S2
SMILES
C(SSC(Cl)(Cl)Cl)(Cl)(Cl)Cl
InChI
InChI=1S/C2Cl6S2/c3-1(4,5)9-10-2(6,7)8
InChIKey
NTOLLCFJWFCTMH-UHFFFAOYSA-N
Compound name
trichloro-(trichloromethyldisulfanyl)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

297.75726 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.764536 159.8
[M+Na]+ 320.746478 164.9
[M-H]- 296.749984 155.3
[M+NH4]+ 315.791083 173.6
[M+K]+ 336.720418 161.5
[M+H-H2O]+ 280.754520 159.5
[M+HCOO]- 342.755461 141.4
[M+CH3COO]- 356.771111 198.7
[M+Na-2H]- 318.731926 156.2
[M]+ 297.75671142 155.3
[M]- 297.75780858 155.3
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