CID 108795

1,3,4-thiadiazole, 2,5-bis(tert-dodecyldithio)-

Structural Information

Molecular Formula
C26H50N2S5
SMILES
CCCCCCCCCC(C)(C)SSC1=NN=C(S1)SSC(C)(C)CCCCCCCCC
InChI
InChI=1S/C26H50N2S5/c1-7-9-11-13-15-17-19-21-25(3,4)32-30-23-27-28-24(29-23)31-33-26(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKey
XFAHFFMTBQKDHA-UHFFFAOYSA-N
Compound name
2,5-bis(2-methylundecan-2-yldisulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

505
Patents

550.25775 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.26503 225.7
[M+Na]+ 573.24697 227.8
[M-H]- 549.25047 220.5
[M+NH4]+ 568.29157 230.6
[M+K]+ 589.22091 214.4
[M+H-H2O]+ 533.25501 217.3
[M+HCOO]- 595.25595 213.7
[M+CH3COO]- 609.27160 246.8
[M+Na-2H]- 571.23242 220.4
[M]+ 550.25720 227.7
[M]- 550.25830 227.7
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