CID 3042833

60575-28-2

Structural Information

Molecular Formula
C12H12OS2
SMILES
C1CSC(S1)C2CC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H12OS2/c13-11-9-4-2-1-3-8(9)7-10(11)12-14-5-6-15-12/h1-4,10,12H,5-7H2
InChIKey
HBWCXZPJPLRTJN-UHFFFAOYSA-N
Compound name
2-(1,3-dithiolan-2-yl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.03296 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04024 151.9
[M+Na]+ 259.02218 161.4
[M-H]- 235.02568 159.9
[M+NH4]+ 254.06678 175.6
[M+K]+ 274.99612 157.2
[M+H-H2O]+ 219.03022 148.2
[M+HCOO]- 281.03116 164.6
[M+CH3COO]- 295.04681 165.1
[M+Na-2H]- 257.00763 150.0
[M]+ 236.03241 152.6
[M]- 236.03351 152.6
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.