CID 6446024

1,3-dithiole, 4-(4-chlorophenyl)-2-((4-chlorophenyl)methylene)-

Structural Information

Molecular Formula
C16H10Cl2S2
SMILES
C1=CC(=CC=C1/C=C\2/SC=C(S2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2S2/c17-13-5-1-11(2-6-13)9-16-19-10-15(20-16)12-3-7-14(18)8-4-12/h1-10H/b16-9-
InChIKey
VAHDSLLMXJZFAT-SXGWCWSVSA-N
Compound name
(2Z)-4-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-1,3-dithiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.96008 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96736 172.4
[M+Na]+ 358.94930 183.8
[M-H]- 334.95280 182.3
[M+NH4]+ 353.99390 190.6
[M+K]+ 374.92324 174.6
[M+H-H2O]+ 318.95734 167.8
[M+HCOO]- 380.95828 177.5
[M+CH3COO]- 394.97393 184.2
[M+Na-2H]- 356.93475 170.0
[M]+ 335.95953 176.2
[M]- 335.96063 176.2
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

No patent data available for this compound.