CID 22334

2-ethyl-2-phenyl-1,3-dithiolane

Structural Information

Molecular Formula
C11H14S2
SMILES
CCC1(SCCS1)C2=CC=CC=C2
InChI
InChI=1S/C11H14S2/c1-2-11(12-8-9-13-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey
NRBJYWMPTBYHGI-UHFFFAOYSA-N
Compound name
2-ethyl-2-phenyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0537 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06098 143.7
[M+Na]+ 233.04292 151.6
[M-H]- 209.04642 150.1
[M+NH4]+ 228.08752 166.9
[M+K]+ 249.01686 147.6
[M+H-H2O]+ 193.05096 138.7
[M+HCOO]- 255.05190 156.6
[M+CH3COO]- 269.06755 156.6
[M+Na-2H]- 231.02837 144.9
[M]+ 210.05315 143.7
[M]- 210.05425 143.7
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