CID 55306

2-methyl-2-(2-thienyl)-1,3-dithiolane

Structural Information

Molecular Formula
C8H10S3
SMILES
CC1(SCCS1)C2=CC=CS2
InChI
InChI=1S/C8H10S3/c1-8(10-5-6-11-8)7-3-2-4-9-7/h2-4H,5-6H2,1H3
InChIKey
XQWUOXJGSSBQTH-UHFFFAOYSA-N
Compound name
2-methyl-2-thiophen-2-yl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.99446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00174 141.6
[M+Na]+ 224.98368 151.7
[M-H]- 200.98718 148.1
[M+NH4]+ 220.02828 166.8
[M+K]+ 240.95762 147.7
[M+H-H2O]+ 184.99172 138.3
[M+HCOO]- 246.99266 150.5
[M+CH3COO]- 261.00831 154.8
[M+Na-2H]- 222.96913 140.8
[M]+ 201.99391 141.8
[M]- 201.99501 141.8
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