CID 67865205

Fp2oppa

Structural Information

Molecular Formula
C22H17FO
SMILES
CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C22H17FO/c1-2-24-22-15-11-20(12-16-22)19-9-5-17(6-10-19)3-4-18-7-13-21(23)14-8-18/h5-16H,2H2,1H3
InChIKey
LMIDDQHITGULKB-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[4-[2-(4-fluorophenyl)ethynyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.12634 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13362 179.1
[M+Na]+ 339.11556 189.8
[M-H]- 315.11906 184.1
[M+NH4]+ 334.16016 191.4
[M+K]+ 355.08950 179.8
[M+H-H2O]+ 299.12360 163.4
[M+HCOO]- 361.12454 195.2
[M+CH3COO]- 375.14019 188.1
[M+Na-2H]- 337.10101 180.7
[M]+ 316.12579 173.0
[M]- 316.12689 173.0
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