CID 345158

52584-27-7

Structural Information

Molecular Formula
C8H14O2S5
SMILES
CC(C)OC(=S)SSSC(=S)OC(C)C
InChI
InChI=1S/C8H14O2S5/c1-5(2)9-7(11)13-15-14-8(12)10-6(3)4/h5-6H,1-4H3
InChIKey
TXLZTPCDRBQTJT-UHFFFAOYSA-N
Compound name
O-propan-2-yl (propan-2-yloxycarbothioyltrisulfanyl)methanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

301.95975 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96703 167.6
[M+Na]+ 324.94897 170.6
[M-H]- 300.95247 163.2
[M+NH4]+ 319.99357 179.8
[M+K]+ 340.92291 160.5
[M+H-H2O]+ 284.95701 160.2
[M+HCOO]- 346.95795 156.6
[M+CH3COO]- 360.97360 203.1
[M+Na-2H]- 322.93442 163.6
[M]+ 301.95920 163.6
[M]- 301.96030 163.6
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

patents stripe