CID 77933

Trisulfide, bis(1,1-dimethylethyl)

Structural Information

Molecular Formula
C8H18S3
SMILES
CC(C)(C)SSSC(C)(C)C
InChI
InChI=1S/C8H18S3/c1-7(2,3)9-11-10-8(4,5)6/h1-6H3
InChIKey
NYLJHRUQFXQNPN-UHFFFAOYSA-N
Compound name
2-(tert-butyltrisulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

853
Patents

210.05707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06435 145.8
[M+Na]+ 233.04629 152.4
[M-H]- 209.04979 145.2
[M+NH4]+ 228.09089 165.1
[M+K]+ 249.02023 147.7
[M+H-H2O]+ 193.05433 140.5
[M+HCOO]- 255.05527 148.5
[M+CH3COO]- 269.07092 187.5
[M+Na-2H]- 231.03174 145.4
[M]+ 210.05652 148.1
[M]- 210.05762 148.1
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