CID 77151

Diethyl trisulfide

Structural Information

Molecular Formula
C4H10S3
SMILES
CCSSSCC
InChI
InChI=1S/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3
InChIKey
OPMRTBDRQRSNDN-UHFFFAOYSA-N
Compound name
(ethyltrisulfanyl)ethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

358
Patents

153.99446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00174 125.2
[M+Na]+ 176.98368 132.8
[M-H]- 152.98718 125.0
[M+NH4]+ 172.02828 146.4
[M+K]+ 192.95762 128.4
[M+H-H2O]+ 136.99172 120.0
[M+HCOO]- 198.99266 131.7
[M+CH3COO]- 213.00831 176.7
[M+Na-2H]- 174.96913 125.0
[M]+ 153.99391 127.3
[M]- 153.99501 127.3
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