CID 10013210

2-(phenylethynyl)benzaldehyde

Structural Information

Molecular Formula
C15H10O
SMILES
C1=CC=C(C=C1)C#CC2=CC=CC=C2C=O
InChI
InChI=1S/C15H10O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,12H
InChIKey
SDSQNHMKRHPAIM-UHFFFAOYSA-N
Compound name
2-(2-phenylethynyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

91
Patents

206.07317 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.080446 150.0
[M+Na]+ 229.062388 160.8
[M-H]- 205.065894 154.4
[M+NH4]+ 224.106993 166.6
[M+K]+ 245.036328 153.5
[M+H-H2O]+ 189.070430 137.1
[M+HCOO]- 251.071371 168.5
[M+CH3COO]- 265.087021 161.4
[M+Na-2H]- 227.047836 155.2
[M]+ 206.07262142 144.1
[M]- 206.07371858 144.1
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