CID 9264

1,3,5-trithiane

Structural Information

Molecular Formula
C3H6S3
SMILES
C1SCSCS1
InChI
InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
InChIKey
LORRLQMLLQLPSJ-UHFFFAOYSA-N
Compound name
1,3,5-trithiane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

10424
Patents

137.96317 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.97045 121.0
[M+Na]+ 160.95239 127.4
[M-H]- 136.95589 123.2
[M+NH4]+ 155.99699 142.3
[M+K]+ 176.92633 123.5
[M+H-H2O]+ 120.96043 116.1
[M+HCOO]- 182.96137 126.1
[M+CH3COO]- 196.97702 132.9
[M+Na-2H]- 158.93784 122.4
[M]+ 137.96262 116.7
[M]- 137.96372 116.7
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