CID 248427

1,2,2,2-tetrachloroethyl disulfide

Structural Information

Molecular Formula
C4H2Cl8S2
SMILES
C(C(Cl)(Cl)Cl)(SSC(C(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C4H2Cl8S2/c5-1(3(7,8)9)13-14-2(6)4(10,11)12/h1-2H
InChIKey
SAPVRZJHCTUGIW-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloro-2-(1,2,2,2-tetrachloroethyldisulfanyl)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

393.7106 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.71788 185.3
[M+Na]+ 416.69982 185.5
[M-H]- 392.70332 176.8
[M+NH4]+ 411.74442 192.6
[M+K]+ 432.67376 185.1
[M+H-H2O]+ 376.70786 184.6
[M+HCOO]- 438.70880 157.9
[M+CH3COO]- 452.72445 217.3
[M+Na-2H]- 414.68527 175.7
[M]+ 393.71005 174.1
[M]- 393.71115 174.1
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