CID 801489

5-(phenylsulfanyl)-2-furaldehyde

Structural Information

Molecular Formula
C11H8O2S
SMILES
C1=CC=C(C=C1)SC2=CC=C(O2)C=O
InChI
InChI=1S/C11H8O2S/c12-8-9-6-7-11(13-9)14-10-4-2-1-3-5-10/h1-8H
InChIKey
KQQAWPFBGKQMAF-UHFFFAOYSA-N
Compound name
5-phenylsulfanylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.0245 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03178 140.9
[M+Na]+ 227.01372 150.9
[M-H]- 203.01722 149.3
[M+NH4]+ 222.05832 161.3
[M+K]+ 242.98766 148.6
[M+H-H2O]+ 187.02176 135.4
[M+HCOO]- 249.02270 162.1
[M+CH3COO]- 263.03835 181.0
[M+Na-2H]- 224.99917 145.0
[M]+ 204.02395 145.3
[M]- 204.02505 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

literature stripe

Patent stripe

patents stripe