CID 3034251

Ns00123797

Structural Information

Molecular Formula
C14H12S2
SMILES
C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/S)/S
InChI
InChI=1S/C14H12S2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,15-16H/b14-13-
InChIKey
HNQWTAFLMHBOSS-YPKPFQOOSA-N
Compound name
(Z)-1,2-diphenylethene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

244.03804 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.045316 150.5
[M+Na]+ 267.027258 157.7
[M-H]- 243.030764 156.9
[M+NH4]+ 262.071863 168.4
[M+K]+ 283.001198 151.9
[M+H-H2O]+ 227.035300 143.9
[M+HCOO]- 289.036241 162.4
[M+CH3COO]- 303.051891 162.3
[M+Na-2H]- 265.012706 151.4
[M]+ 244.03749142 150.8
[M]- 244.03858858 150.8
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.