CID 22833380

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

Structural Information

Molecular Formula
C20H38N2S5
SMILES
CCCCCC(C)(C)CSSC1=NN=C(S1)SSCC(C)(C)CCCCC
InChI
InChI=1S/C20H38N2S5/c1-7-9-11-13-19(3,4)15-23-26-17-21-22-18(25-17)27-24-16-20(5,6)14-12-10-8-2/h7-16H2,1-6H3
InChIKey
RHKLIWUUEYGKQK-UHFFFAOYSA-N
Compound name
2,5-bis(2,2-dimethylheptyldisulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

466.16385 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17113 203.0
[M+Na]+ 489.15307 208.0
[M+NH4]+ 484.19767 209.1
[M+K]+ 505.12701 195.6
[M-H]- 465.15657 203.1
[M+Na-2H]- 487.13852 200.7
[M]+ 466.16330 205.8
[M]- 466.16440 205.8
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