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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe