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]+ 175.060976 137.6
[M+Na]+ 197.042918 147.1
[M-H]- 173.046424 138.6
[M+NH4]+ 192.087523 157.1
[M+K]+ 213.016858 144.3
[M+H-H2O]+ 157.050960 127.2
[M+HCOO]- 219.051901 145.1
[M+CH3COO]- 233.067551 187.7
[M+Na-2H]- 195.028366 137.6
[M]+ 174.05315142 136.6
[M]- 174.05424858 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.