CID 454740

Alpha-terthienylmethanol

Structural Information

Molecular Formula
C13H10OS3
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)CO
InChI
InChI=1S/C13H10OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-7,14H,8H2
InChIKey
WAYZWWNNJZMQCQ-UHFFFAOYSA-N
Compound name
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

109
Patents

277.98938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99666 162.2
[M+Na]+ 300.97860 175.9
[M-H]- 276.98210 172.8
[M+NH4]+ 296.02320 184.7
[M+K]+ 316.95254 169.8
[M+H-H2O]+ 260.98664 159.4
[M+HCOO]- 322.98758 175.6
[M+CH3COO]- 337.00323 176.1
[M+Na-2H]- 298.96405 158.8
[M]+ 277.98883 167.4
[M]- 277.98993 167.4
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.