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 207.9
[M+Na]+ 489.15307 212.3
[M-H]- 465.15657 203.7
[M+NH4]+ 484.19767 215.6
[M+K]+ 505.12701 200.0
[M+H-H2O]+ 449.16111 200.3
[M+HCOO]- 511.16205 197.2
[M+CH3COO]- 525.17770 232.4
[M+Na-2H]- 487.13852 203.8
[M]+ 466.16330 208.1
[M]- 466.16440 208.1
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