CID 126548129

2'-fluoro-4-methoxy-4''-propyl-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C22H21FO
SMILES
CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)OC)F
InChI
InChI=1S/C22H21FO/c1-3-4-16-5-7-17(8-6-16)19-11-14-21(22(23)15-19)18-9-12-20(24-2)13-10-18/h5-15H,3-4H2,1-2H3
InChIKey
WACZLLZECONEQD-UHFFFAOYSA-N
Compound name
2-fluoro-1-(4-methoxyphenyl)-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

320.15765 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16493 177.1
[M+Na]+ 343.14687 185.3
[M-H]- 319.15037 185.6
[M+NH4]+ 338.19147 191.4
[M+K]+ 359.12081 179.0
[M+H-H2O]+ 303.15491 166.8
[M+HCOO]- 365.15585 199.1
[M+CH3COO]- 379.17150 211.1
[M+Na-2H]- 341.13232 179.6
[M]+ 320.15710 178.1
[M]- 320.15820 178.1
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