CID 70174

1,4-diphenylbutadiyne

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

24
References

1113
Patents

202.07825 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08553 162.8
[M+Na]+ 225.06747 173.7
[M-H]- 201.07097 165.7
[M+NH4]+ 220.11207 174.8
[M+K]+ 241.04141 164.5
[M+H-H2O]+ 185.07551 147.8
[M+HCOO]- 247.07645 172.5
[M+CH3COO]- 261.09210 169.7
[M+Na-2H]- 223.05292 164.7
[M]+ 202.07770 152.8
[M]- 202.07880 152.8
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

No patent data available for this compound.