CID 83567

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

Structural Information

Molecular Formula
C26H50N2S5
SMILES
CCCCCCCCCCCCSSC1=NN=C(S1)SSCCCCCCCCCCCC
InChI
InChI=1S/C26H50N2S5/c1-3-5-7-9-11-13-15-17-19-21-23-29-32-25-27-28-26(31-25)33-30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
ZBADMMCYTSORHN-UHFFFAOYSA-N
Compound name
2,5-bis(dodecyldisulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

550.25775 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.26503 214.0
[M+Na]+ 573.24697 216.3
[M-H]- 549.25047 208.8
[M+NH4]+ 568.29157 219.1
[M+K]+ 589.22091 202.0
[M+H-H2O]+ 533.25501 205.7
[M+HCOO]- 595.25595 204.5
[M+CH3COO]- 609.27160 245.9
[M+Na-2H]- 571.23242 207.3
[M]+ 550.25720 217.2
[M]- 550.25830 217.2
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