CID 332690

((2-(phenylthio)-1-cyclobuten-1-yl)thio)benzene

Structural Information

Molecular Formula
C16H14S2
SMILES
C1CC(=C1SC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C16H14S2/c1-3-7-13(8-4-1)17-15-11-12-16(15)18-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
UJZBTGXCKCXUDW-UHFFFAOYSA-N
Compound name
(2-phenylsulfanylcyclobuten-1-yl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.05368 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06096 146.9
[M+Na]+ 293.04290 153.2
[M-H]- 269.04640 155.5
[M+NH4]+ 288.08750 157.4
[M+K]+ 309.01684 149.9
[M+H-H2O]+ 253.05094 133.4
[M+HCOO]- 315.05188 159.9
[M+CH3COO]- 329.06753 158.3
[M+Na-2H]- 291.02835 149.1
[M]+ 270.05313 156.8
[M]- 270.05423 156.8
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

No patent data available for this compound.