CID 2776546

465514-11-8

Structural Information

Molecular Formula
C8H5NO2S
SMILES
C1=CSC(=C1)C2=CC(=NO2)C=O
InChI
InChI=1S/C8H5NO2S/c10-5-6-4-7(11-9-6)8-2-1-3-12-8/h1-5H
InChIKey
ICENILRKNUKRPB-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

179.0041 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.01138 134.3
[M+Na]+ 201.99332 147.5
[M+NH4]+ 197.03792 143.3
[M+K]+ 217.96726 143.1
[M-H]- 177.99682 138.4
[M+Na-2H]- 199.97877 141.3
[M]+ 179.00355 137.8
[M]- 179.00465 137.8
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