CID 4987278

5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C10H8OS2
SMILES
CC1=CC=C(S1)C2=CC=C(S2)C=O
InChI
InChI=1S/C10H8OS2/c1-7-2-4-9(12-7)10-5-3-8(6-11)13-10/h2-6H,1H3
InChIKey
HLFSBWRCOPCECM-UHFFFAOYSA-N
Compound name
5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.00166 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.008936 143.0
[M+Na]+ 230.990878 155.9
[M-H]- 206.994384 151.8
[M+NH4]+ 226.035483 167.2
[M+K]+ 246.964818 151.6
[M+H-H2O]+ 190.998920 138.7
[M+HCOO]- 252.999861 161.6
[M+CH3COO]- 267.015511 158.4
[M+Na-2H]- 228.976326 142.1
[M]+ 208.00111142 149.1
[M]- 208.00220858 149.1
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