CID 606067

Propyne, 1,3-diphenyl-

Structural Information

Molecular Formula
C15H12
SMILES
C1=CC=C(C=C1)CC#CC2=CC=CC=C2
InChI
InChI=1S/C15H12/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,12H2
InChIKey
OYWWNXJFQSGJNZ-UHFFFAOYSA-N
Compound name
3-phenylprop-1-ynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

192.0939 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.101176 147.4
[M+Na]+ 215.083118 157.3
[M-H]- 191.086624 151.4
[M+NH4]+ 210.127723 164.4
[M+K]+ 231.057058 149.8
[M+H-H2O]+ 175.091160 134.5
[M+HCOO]- 237.092101 165.6
[M+CH3COO]- 251.107751 158.5
[M+Na-2H]- 213.068566 153.4
[M]+ 192.09335142 140.6
[M]- 192.09444858 140.6
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