CID 119869

Disulfide, bis(2-chloro-2-phenylethyl)

Structural Information

Molecular Formula
C16H16Cl2S2
SMILES
C1=CC=C(C=C1)C(CSSCC(C2=CC=CC=C2)Cl)Cl
InChI
InChI=1S/C16H16Cl2S2/c17-15(13-7-3-1-4-8-13)11-19-20-12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
AAZRETWAQFEOEW-UHFFFAOYSA-N
Compound name
[1-chloro-2-[(2-chloro-2-phenylethyl)disulfanyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

342.00705 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.01433 173.5
[M+Na]+ 364.99627 188.1
[M+NH4]+ 360.04087 184.1
[M+K]+ 380.97021 174.5
[M-H]- 340.99977 179.1
[M+Na-2H]- 362.98172 182.0
[M]+ 342.00650 179.0
[M]- 342.00760 179.0
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