CID 71755391

5-formylthiophene-3-carboxamide

Structural Information

Molecular Formula
C6H5NO2S
SMILES
C1=C(SC=C1C(=O)N)C=O
InChI
InChI=1S/C6H5NO2S/c7-6(9)4-1-5(2-8)10-3-4/h1-3H,(H2,7,9)
InChIKey
WJJFUQBSWQDKHS-UHFFFAOYSA-N
Compound name
5-formylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0041 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.01138 129.4
[M+Na]+ 177.99332 138.5
[M-H]- 153.99682 133.4
[M+NH4]+ 173.03792 152.2
[M+K]+ 193.96726 136.3
[M+H-H2O]+ 138.00136 124.2
[M+HCOO]- 200.00230 150.4
[M+CH3COO]- 214.01795 174.5
[M+Na-2H]- 175.97877 130.9
[M]+ 155.00355 130.6
[M]- 155.00465 130.6
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.