CID 83568

13539-13-4

Structural Information

Molecular Formula
C18H34N2S5
SMILES
CCCCCCCCSSC1=NN=C(S1)SSCCCCCCCC
InChI
InChI=1S/C18H34N2S5/c1-3-5-7-9-11-13-15-21-24-17-19-20-18(23-17)25-22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
ZFOMEJJNWNWWIB-UHFFFAOYSA-N
Compound name
2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

564
Patents

438.13257 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13985 184.9
[M+Na]+ 461.12179 190.9
[M+NH4]+ 456.16639 191.8
[M+K]+ 477.09573 177.4
[M-H]- 437.12529 186.2
[M+Na-2H]- 459.10724 183.3
[M]+ 438.13202 188.0
[M]- 438.13312 188.0
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