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

literature stripe

Patent stripe

patents stripe