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]+ 209.00894 143.0
[M+Na]+ 230.99088 155.9
[M-H]- 206.99438 151.8
[M+NH4]+ 226.03548 167.2
[M+K]+ 246.96482 151.6
[M+H-H2O]+ 190.99892 138.7
[M+HCOO]- 252.99986 161.6
[M+CH3COO]- 267.01551 158.4
[M+Na-2H]- 228.97633 142.1
[M]+ 208.00111 149.1
[M]- 208.00221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.