CID 364428

3779-27-9

Structural Information

Molecular Formula
C9H6OS2
SMILES
C1=CSC(=C1)C2=CC=C(S2)C=O
InChI
InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey
FYBWRAXKYXTOQC-UHFFFAOYSA-N
Compound name
5-thiophen-2-ylthiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

331
Patents

193.98601 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.993286 139.4
[M+Na]+ 216.975228 152.0
[M-H]- 192.978734 148.0
[M+NH4]+ 212.019833 163.8
[M+K]+ 232.949168 148.0
[M+H-H2O]+ 176.983270 135.0
[M+HCOO]- 238.984211 158.4
[M+CH3COO]- 252.999861 154.9
[M+Na-2H]- 214.960676 139.5
[M]+ 193.98546142 144.8
[M]- 193.98655858 144.8
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