CID 18428691

2-[4-(methylsulfanyl)phenoxy]benzaldehyde

Structural Information

Molecular Formula
C14H12O2S
SMILES
CSC1=CC=C(C=C1)OC2=CC=CC=C2C=O
InChI
InChI=1S/C14H12O2S/c1-17-13-8-6-12(7-9-13)16-14-5-3-2-4-11(14)10-15/h2-10H,1H3
InChIKey
OMYYSYTUDYMRRI-UHFFFAOYSA-N
Compound name
2-(4-methylsulfanylphenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.0558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.063076 151.8
[M+Na]+ 267.045018 160.8
[M-H]- 243.048524 159.1
[M+NH4]+ 262.089623 170.0
[M+K]+ 283.018958 156.5
[M+H-H2O]+ 227.053060 144.8
[M+HCOO]- 289.054001 171.8
[M+CH3COO]- 303.069651 191.3
[M+Na-2H]- 265.030466 155.5
[M]+ 244.05525142 156.0
[M]- 244.05634858 156.0
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