CID 117660335

Tfpo-cf2-cpdfp

Structural Information

Molecular Formula
C24H17F7O
SMILES
C1CCC(C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F
InChI
InChI=1S/C24H17F7O/c25-18-9-16(15-7-5-14(6-8-15)13-3-1-2-4-13)10-19(26)22(18)24(30,31)32-17-11-20(27)23(29)21(28)12-17/h5-13H,1-4H2
InChIKey
FVWZUSRBRYUYQE-UHFFFAOYSA-N
Compound name
5-(4-cyclopentylphenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

454.11676 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12404 205.0
[M+Na]+ 477.10598 214.9
[M-H]- 453.10948 209.3
[M+NH4]+ 472.15058 215.4
[M+K]+ 493.07992 205.9
[M+H-H2O]+ 437.11402 189.8
[M+HCOO]- 499.11496 217.1
[M+CH3COO]- 513.13061 233.4
[M+Na-2H]- 475.09143 198.7
[M]+ 454.11621 196.2
[M]- 454.11731 196.2
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