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]+ 206.027016 140.2
[M+Na]+ 228.008958 150.6
[M-H]- 204.012464 147.3
[M+NH4]+ 223.053563 159.2
[M+K]+ 243.982898 148.5
[M+H-H2O]+ 188.017000 133.9
[M+HCOO]- 250.017941 160.5
[M+CH3COO]- 264.033591 154.7
[M+Na-2H]- 225.994406 144.6
[M]+ 205.01919142 144.7
[M]- 205.02028858 144.7
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.