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

303
Patents

194.07317 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08045 145.2
[M+Na]+ 217.06239 156.0
[M-H]- 193.06589 149.6
[M+NH4]+ 212.10699 162.2
[M+K]+ 233.03633 149.5
[M+H-H2O]+ 177.07043 132.4
[M+HCOO]- 239.07137 163.9
[M+CH3COO]- 253.08702 156.9
[M+Na-2H]- 215.04784 151.1
[M]+ 194.07262 139.8
[M]- 194.07372 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