CID 23391125

3oft

Structural Information

Molecular Formula
C21H19FO
SMILES
CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H19FO/c1-2-15-23-21-13-9-19(10-14-21)17-5-3-16(4-6-17)18-7-11-20(22)12-8-18/h3-14H,2,15H2,1H3
InChIKey
WSESHQAOFBRVCL-UHFFFAOYSA-N
Compound name
1-fluoro-4-[4-(4-propoxyphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.142 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14928 172.7
[M+Na]+ 329.13122 180.4
[M-H]- 305.13472 180.9
[M+NH4]+ 324.17582 187.2
[M+K]+ 345.10516 174.3
[M+H-H2O]+ 289.13926 162.4
[M+HCOO]- 351.14020 195.0
[M+CH3COO]- 365.15585 184.1
[M+Na-2H]- 327.11667 176.4
[M]+ 306.14145 172.8
[M]- 306.14255 172.8
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

patents stripe