CID 202964

2-butyne, 1,4-bis(ethylthio)-

Structural Information

Molecular Formula
C8H14S2
SMILES
CCSCC#CCSCC
InChI
InChI=1S/C8H14S2/c1-3-9-7-5-6-8-10-4-2/h3-4,7-8H2,1-2H3
InChIKey
QHJHZAAOWXGVRD-UHFFFAOYSA-N
Compound name
1,4-bis(ethylsulfanyl)but-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06098 126.9
[M+Na]+ 197.04292 136.8
[M+NH4]+ 192.08752 132.8
[M+K]+ 213.01686 124.5
[M-H]- 173.04642 120.4
[M+Na-2H]- 195.02837 127.8
[M]+ 174.05315 126.5
[M]- 174.05425 126.5
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

No patent data available for this compound.