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 140.2
[M+Na]+ 228.00896 150.6
[M-H]- 204.01246 147.3
[M+NH4]+ 223.05356 159.2
[M+K]+ 243.98290 148.5
[M+H-H2O]+ 188.01700 133.9
[M+HCOO]- 250.01794 160.5
[M+CH3COO]- 264.03359 154.7
[M+Na-2H]- 225.99441 144.6
[M]+ 205.01919 144.7
[M]- 205.02029 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.