CID 4095657

153354-46-2

Structural Information

Molecular Formula
C21H13FO
SMILES
C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H13FO/c22-20-14-12-19(13-15-20)21(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H
InChIKey
SKWWXACONTVUHM-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[4-(2-phenylethynyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

300.09503 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10231 176.4
[M+Na]+ 323.08425 186.7
[M-H]- 299.08775 181.3
[M+NH4]+ 318.12885 188.8
[M+K]+ 339.05819 176.6
[M+H-H2O]+ 283.09229 160.8
[M+HCOO]- 345.09323 192.0
[M+CH3COO]- 359.10888 185.4
[M+Na-2H]- 321.06970 177.9
[M]+ 300.09448 168.4
[M]- 300.09558 168.4
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

patents stripe