CID 134241696

Tfpo-cf2-2hitft

Structural Information

Molecular Formula
C36H24F8O
SMILES
CCC1CC2=C(C1)C=C(C=C2)C3=CC=C(C=C3)C4=CC(=C(C=C4)C5=CC(=C(C(=C5)F)C(OC6=CC(=C(C(=C6)F)F)F)(F)F)F)F
InChI
InChI=1S/C36H24F8O/c1-2-19-11-22-7-8-23(13-25(22)12-19)20-3-5-21(6-4-20)24-9-10-28(29(37)14-24)26-15-30(38)34(31(39)16-26)36(43,44)45-27-17-32(40)35(42)33(41)18-27/h3-10,13-19H,2,11-12H2,1H3
InChIKey
SEOVPVSJTXEQNN-UHFFFAOYSA-N
Compound name
5-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-2-ethyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

624.1699 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.17718 259.0
[M+Na]+ 647.15912 270.0
[M-H]- 623.16262 265.8
[M+NH4]+ 642.20372 263.1
[M+K]+ 663.13306 257.8
[M+H-H2O]+ 607.16716 239.5
[M+HCOO]- 669.16810 267.1
[M+CH3COO]- 683.18375 263.1
[M+Na-2H]- 645.14457 247.8
[M]+ 624.16935 252.2
[M]- 624.17045 252.2
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