CID 11275700

1-ethynyl-4-(phenylethynyl)benzene

Structural Information

Molecular Formula
C16H10
SMILES
C#CC1=CC=C(C=C1)C#CC2=CC=CC=C2
InChI
InChI=1S/C16H10/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15/h1,3-11H
InChIKey
WAUKYPQSFIENDE-UHFFFAOYSA-N
Compound name
1-ethynyl-4-(2-phenylethynyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

202.07825 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08553 162.0
[M+Na]+ 225.06747 173.5
[M-H]- 201.07097 165.2
[M+NH4]+ 220.11207 174.3
[M+K]+ 241.04141 164.5
[M+H-H2O]+ 185.07551 147.3
[M+HCOO]- 247.07645 171.8
[M+CH3COO]- 261.09210 169.2
[M+Na-2H]- 223.05292 163.6
[M]+ 202.07770 152.4
[M]- 202.07880 152.4
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