CID 15745188

2',3,4-trifluoro-4''-pentyl-1,1':4',1''-terphenyl

Structural Information

Molecular Formula
C23H21F3
SMILES
CCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)F)F)F
InChI
InChI=1S/C23H21F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-20(22(25)14-18)19-11-13-21(24)23(26)15-19/h6-15H,2-5H2,1H3
InChIKey
YSKDUZZRXKWBNF-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.15955 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16683 184.9
[M+Na]+ 377.14877 193.8
[M-H]- 353.15227 190.7
[M+NH4]+ 372.19337 198.0
[M+K]+ 393.12271 185.6
[M+H-H2O]+ 337.15681 172.7
[M+HCOO]- 399.15775 204.0
[M+CH3COO]- 413.17340 218.5
[M+Na-2H]- 375.13422 184.7
[M]+ 354.15900 183.0
[M]- 354.16010 183.0
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