CID 117962228

Tfpo-cf2-4hidfp

Structural Information

Molecular Formula
C26H21F7O
SMILES
CCCCC1CC2=C(C1)C=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F
InChI
InChI=1S/C26H21F7O/c1-2-3-4-14-7-15-5-6-16(9-17(15)8-14)18-10-20(27)24(21(28)11-18)26(32,33)34-19-12-22(29)25(31)23(30)13-19/h5-6,9-14H,2-4,7-8H2,1H3
InChIKey
SEAZVJOAVYODMK-UHFFFAOYSA-N
Compound name
2-butyl-5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

482.14807 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.15535 216.1
[M+Na]+ 505.13729 227.0
[M-H]- 481.14079 218.3
[M+NH4]+ 500.18189 227.0
[M+K]+ 521.11123 217.4
[M+H-H2O]+ 465.14533 201.3
[M+HCOO]- 527.14627 227.3
[M+CH3COO]- 541.16192 241.7
[M+Na-2H]- 503.12274 209.6
[M]+ 482.14752 210.9
[M]- 482.14862 210.9
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