CID 189477

117205-69-3

Structural Information

Molecular Formula
C16H14O2S2
SMILES
C1=C(SC(=C1)C2=CC=C(S2)C#CCCO)C#CCCO
InChI
InChI=1S/C16H14O2S2/c17-11-3-1-5-13-7-9-15(19-13)16-10-8-14(20-16)6-2-4-12-18/h7-10,17-18H,3-4,11-12H2
InChIKey
UTYQUJSIWTUNII-UHFFFAOYSA-N
Compound name
4-[5-[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]thiophen-2-yl]but-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.04352 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05080 192.9
[M+Na]+ 325.03274 206.0
[M-H]- 301.03624 196.9
[M+NH4]+ 320.07734 205.7
[M+K]+ 341.00668 198.5
[M+H-H2O]+ 285.04078 179.4
[M+HCOO]- 347.04172 196.0
[M+CH3COO]- 361.05737 198.9
[M+Na-2H]- 323.01819 187.0
[M]+ 302.04297 188.0
[M]- 302.04407 188.0
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.