CID 21830

2-phenyl-1,3-dithiolane

Structural Information

Molecular Formula
C9H10S2
SMILES
C1CSC(S1)C2=CC=CC=C2
InChI
InChI=1S/C9H10S2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2
InChIKey
RKBPDPLCHXWHRQ-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

366
Patents

182.0224 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02968 135.5
[M+Na]+ 205.01162 143.7
[M-H]- 181.01512 142.2
[M+NH4]+ 200.05622 158.0
[M+K]+ 220.98556 139.9
[M+H-H2O]+ 165.01966 130.3
[M+HCOO]- 227.02060 149.1
[M+CH3COO]- 241.03625 148.9
[M+Na-2H]- 202.99707 136.1
[M]+ 182.02185 134.5
[M]- 182.02295 134.5
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