CID 2794784

5-(2-pyridinylsulfanyl)-2-furaldehyde

Structural Information

Molecular Formula
C10H7NO2S
SMILES
C1=CC=NC(=C1)SC2=CC=C(O2)C=O
InChI
InChI=1S/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H
InChIKey
NWJZBQDKKLHSBP-UHFFFAOYSA-N
Compound name
5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01974 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02702 141.4
[M+Na]+ 228.00896 155.4
[M+NH4]+ 223.05356 150.4
[M+K]+ 243.98290 148.4
[M-H]- 204.01246 146.2
[M+Na-2H]- 225.99441 149.1
[M]+ 205.01919 145.3
[M]- 205.02029 145.3
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.