CID 23391147

4-butyl-4''-fluoro-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C22H21F
SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H21F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h5-16H,2-4H2,1H3
InChIKey
GEROZYWBWNPHPK-UHFFFAOYSA-N
Compound name
1-butyl-4-[4-(4-fluorophenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.16272 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17000 173.4
[M+Na]+ 327.15194 180.8
[M-H]- 303.15544 181.5
[M+NH4]+ 322.19654 188.2
[M+K]+ 343.12588 173.8
[M+H-H2O]+ 287.15998 163.3
[M+HCOO]- 349.16092 195.2
[M+CH3COO]- 363.17657 184.6
[M+Na-2H]- 325.13739 176.6
[M]+ 304.16217 172.5
[M]- 304.16327 172.5
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