CID 58981486

326894-64-8

Structural Information

Molecular Formula
C23H20F4
SMILES
CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C23H20F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14H,2-5H2,1H3
InChIKey
FFAZPKLJONELNX-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

372.15012 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15740 188.3
[M+Na]+ 395.13934 198.2
[M-H]- 371.14284 193.1
[M+NH4]+ 390.18394 200.9
[M+K]+ 411.11328 189.6
[M+H-H2O]+ 355.14738 175.3
[M+HCOO]- 417.14832 206.3
[M+CH3COO]- 431.16397 222.4
[M+Na-2H]- 393.12479 186.7
[M]+ 372.14957 185.7
[M]- 372.15067 185.7
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