CID 9258

1,2,4-trithiolane

Structural Information

Molecular Formula
C2H4S3
SMILES
C1SCSS1
InChI
InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2
InChIKey
QHGFEUAAQKJXDI-UHFFFAOYSA-N
Compound name
1,2,4-trithiolane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

408
Patents

123.94752 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.95480 119.9
[M+Na]+ 146.93674 128.5
[M-H]- 122.94024 122.9
[M+NH4]+ 141.98134 143.9
[M+K]+ 162.91068 125.4
[M+H-H2O]+ 106.94478 115.6
[M+HCOO]- 168.94572 127.5
[M+CH3COO]- 182.96137 133.1
[M+Na-2H]- 144.92219 120.0
[M]+ 123.94697 117.8
[M]- 123.94807 117.8
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