CID 117962306

Tfpo-cf2-4hifp

Structural Information

Molecular Formula
C26H22F6O
SMILES
CCCCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F
InChI
InChI=1S/C26H22F6O/c1-2-3-4-15-9-16-5-6-17(11-19(16)10-15)18-7-8-21(22(27)12-18)26(31,32)33-20-13-23(28)25(30)24(29)14-20/h5-8,11-15H,2-4,9-10H2,1H3
InChIKey
ZUBRDYNKHLHWCI-UHFFFAOYSA-N
Compound name
2-butyl-5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

464.15747 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.16475 212.5
[M+Na]+ 487.14669 222.4
[M-H]- 463.15019 215.7
[M+NH4]+ 482.19129 223.9
[M+K]+ 503.12063 213.2
[M+H-H2O]+ 447.15473 198.4
[M+HCOO]- 509.15567 224.8
[M+CH3COO]- 523.17132 237.8
[M+Na-2H]- 485.13214 207.3
[M]+ 464.15692 208.1
[M]- 464.15802 208.1
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