CID 165455448

5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C8H5NOS2
SMILES
C1=C(SC(=C1)C2=CSC=N2)C=O
InChI
InChI=1S/C8H5NOS2/c10-3-6-1-2-8(12-6)7-4-11-5-9-7/h1-5H
InChIKey
OVMFSMCJIYMMEF-UHFFFAOYSA-N
Compound name
5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.98126 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.988536 137.9
[M+Na]+ 217.970478 151.0
[M-H]- 193.973984 145.3
[M+NH4]+ 213.015083 161.1
[M+K]+ 233.944418 147.2
[M+H-H2O]+ 177.978520 133.0
[M+HCOO]- 239.979461 156.1
[M+CH3COO]- 253.995111 153.2
[M+Na-2H]- 215.955926 138.3
[M]+ 194.98071142 143.4
[M]- 194.98180858 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

No patent data available for this compound.