CID 23560655

2-(thiophen-2-yl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H5NOS2
SMILES
C1=CSC(=C1)C2=NC=C(S2)C=O
InChI
InChI=1S/C8H5NOS2/c10-5-6-4-9-8(12-6)7-2-1-3-11-7/h1-5H
InChIKey
OGLRIDOHTCKNEF-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

194.98126 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.98854 137.9
[M+Na]+ 217.97048 151.0
[M-H]- 193.97398 145.3
[M+NH4]+ 213.01508 161.1
[M+K]+ 233.94442 147.2
[M+H-H2O]+ 177.97852 133.0
[M+HCOO]- 239.97946 156.1
[M+CH3COO]- 253.99511 153.2
[M+Na-2H]- 215.95593 138.3
[M]+ 194.98071 143.4
[M]- 194.98181 143.4
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

patents stripe