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 137.6
[M+Na]+ 197.04292 147.1
[M-H]- 173.04642 138.6
[M+NH4]+ 192.08752 157.1
[M+K]+ 213.01686 144.3
[M+H-H2O]+ 157.05096 127.2
[M+HCOO]- 219.05190 145.1
[M+CH3COO]- 233.06755 187.7
[M+Na-2H]- 195.02837 137.6
[M]+ 174.05315 136.6
[M]- 174.05425 136.6
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.