CID 57981378

5tefq

Structural Information

Molecular Formula
C29H24F4
SMILES
CCCCCC1=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/C29H24F4/c1-2-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-25(26(30)16-23)24-17-27(31)29(33)28(32)18-24/h6-18H,2-5H2,1H3
InChIKey
YTZAHDSEPXFTPV-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

448.18143 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18871 212.8
[M+Na]+ 471.17065 222.0
[M-H]- 447.17415 220.1
[M+NH4]+ 466.21525 221.6
[M+K]+ 487.14459 211.7
[M+H-H2O]+ 431.17869 197.5
[M+HCOO]- 493.17963 229.6
[M+CH3COO]- 507.19528 220.8
[M+Na-2H]- 469.15610 209.1
[M]+ 448.18088 209.8
[M]- 448.18198 209.8
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