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]+ 156.011376 129.4
[M+Na]+ 177.993318 138.5
[M-H]- 153.996824 133.4
[M+NH4]+ 173.037923 152.2
[M+K]+ 193.967258 136.3
[M+H-H2O]+ 138.001360 124.2
[M+HCOO]- 200.002301 150.4
[M+CH3COO]- 214.017951 174.5
[M+Na-2H]- 175.978766 130.9
[M]+ 155.00355142 130.6
[M]- 155.00464858 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.