CID 361770

Nsc625036

Structural Information

Molecular Formula
C17H16S2
SMILES
C1CC(=C(SC2=CC=CC=C2)SC3=CC=CC=C3)C1
InChI
InChI=1S/C17H16S2/c1-3-10-15(11-4-1)18-17(14-8-7-9-14)19-16-12-5-2-6-13-16/h1-6,10-13H,7-9H2
InChIKey
BJOXMMJSHKYUMP-UHFFFAOYSA-N
Compound name
[cyclobutylidene(phenylsulfanyl)methyl]sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06934 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07662 153.3
[M+Na]+ 307.05856 157.2
[M-H]- 283.06206 161.0
[M+NH4]+ 302.10316 162.7
[M+K]+ 323.03250 154.0
[M+H-H2O]+ 267.06660 139.6
[M+HCOO]- 329.06754 163.8
[M+CH3COO]- 343.08319 163.3
[M+Na-2H]- 305.04401 153.8
[M]+ 284.06879 160.6
[M]- 284.06989 160.6
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.