CID 134812257

5-(hexa-5-en-1,3-diyn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene

Structural Information

Molecular Formula
C17H10S2
SMILES
CC#CC1=CC=C(S1)C2=CC=C(S2)C#CC#CC=C
InChI
InChI=1S/C17H10S2/c1-3-5-6-7-9-15-11-13-17(19-15)16-12-10-14(18-16)8-4-2/h3,10-13H,1H2,2H3
InChIKey
IEXZGPSIOXTIPE-UHFFFAOYSA-N
Compound name
2-hex-5-en-1,3-diynyl-5-(5-prop-1-ynylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0224 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02968 193.2
[M+Na]+ 301.01162 204.8
[M-H]- 277.01512 198.7
[M+NH4]+ 296.05622 202.1
[M+K]+ 316.98556 198.2
[M+H-H2O]+ 261.01966 181.3
[M+HCOO]- 323.02060 193.6
[M+CH3COO]- 337.03625 196.3
[M+Na-2H]- 298.99707 187.0
[M]+ 278.02185 187.4
[M]- 278.02295 187.4
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.