CID 57981392

Dtxsid301164189

Structural Information

Molecular Formula
C27H20F4
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F
InChI
InChI=1S/C27H20F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22/h4-16H,2-3H2,1H3
InChIKey
DPHLOAOJKGBIKA-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

166
Patents

420.15012 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15740 203.6
[M+Na]+ 443.13934 213.8
[M-H]- 419.14284 211.4
[M+NH4]+ 438.18394 213.7
[M+K]+ 459.11328 203.9
[M+H-H2O]+ 403.14738 188.8
[M+HCOO]- 465.14832 221.1
[M+CH3COO]- 479.16397 212.5
[M+Na-2H]- 441.12479 201.1
[M]+ 420.14957 200.1
[M]- 420.15067 200.1
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