CID 32505

1,3-dithiolane, 2-(o-methoxyphenyl)-

Structural Information

Molecular Formula
C10H12OS2
SMILES
COC1=CC=CC=C1C2SCCS2
InChI
InChI=1S/C10H12OS2/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKey
JKPYCJKJEBIDIG-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03296 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04024 143.3
[M+Na]+ 235.02218 151.6
[M-H]- 211.02568 150.1
[M+NH4]+ 230.06678 164.8
[M+K]+ 250.99612 147.9
[M+H-H2O]+ 195.03022 138.0
[M+HCOO]- 257.03116 156.8
[M+CH3COO]- 271.04681 156.4
[M+Na-2H]- 233.00763 143.1
[M]+ 212.03241 144.4
[M]- 212.03351 144.4
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.