CID 22771

2,2-diphenyl-1,3-dithiolane

Structural Information

Molecular Formula
C15H14S2
SMILES
C1CSC(S1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H14S2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
NPCVWOFQCBKKNO-UHFFFAOYSA-N
Compound name
2,2-diphenyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

258.05368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06096 156.1
[M+Na]+ 281.04290 164.4
[M-H]- 257.04640 165.6
[M+NH4]+ 276.08750 177.2
[M+K]+ 297.01684 158.7
[M+H-H2O]+ 241.05094 150.1
[M+HCOO]- 303.05188 169.7
[M+CH3COO]- 317.06753 168.5
[M+Na-2H]- 279.02835 157.8
[M]+ 258.05313 155.2
[M]- 258.05423 155.2
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

patents stripe