CID 345162

1,3-bis((pentyloxy)carbothioyl)trisulfane

Structural Information

Molecular Formula
C12H22O2S5
SMILES
CCCCCOC(=S)SSSC(=S)OCCCCC
InChI
InChI=1S/C12H22O2S5/c1-3-5-7-9-13-11(15)17-19-18-12(16)14-10-8-6-4-2/h3-10H2,1-2H3
InChIKey
VZEDYVSFXDUDLE-UHFFFAOYSA-N
Compound name
O-pentyl (pentoxycarbothioyltrisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.02234 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02962 180.9
[M+Na]+ 381.01156 183.3
[M-H]- 357.01506 175.9
[M+NH4]+ 376.05616 191.5
[M+K]+ 396.98550 171.5
[M+H-H2O]+ 341.01960 173.0
[M+HCOO]- 403.02054 171.3
[M+CH3COO]- 417.03619 211.6
[M+Na-2H]- 378.99701 176.9
[M]+ 358.02179 179.0
[M]- 358.02289 179.0
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.