CID 12788024

1-ethynyl-4-phenoxybenzene

Structural Information

Molecular Formula
C14H10O
SMILES
C#CC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H
InChIKey
LKMNQDOAPYPSNH-UHFFFAOYSA-N
Compound name
1-ethynyl-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

194.07317 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.080446 145.2
[M+Na]+ 217.062388 156.0
[M-H]- 193.065894 149.6
[M+NH4]+ 212.106993 162.2
[M+K]+ 233.036328 149.5
[M+H-H2O]+ 177.070430 132.4
[M+HCOO]- 239.071371 163.9
[M+CH3COO]- 253.087021 156.9
[M+Na-2H]- 215.047836 151.1
[M]+ 194.07262142 139.8
[M]- 194.07371858 139.8
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