CID 117962305

Tfpo-cf2-3hifp

Structural Information

Molecular Formula
C25H20F6O
SMILES
CCCC1CC2=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/C25H20F6O/c1-2-3-14-8-15-4-5-16(10-18(15)9-14)17-6-7-20(21(26)11-17)25(30,31)32-19-12-22(27)24(29)23(28)13-19/h4-7,10-14H,2-3,8-9H2,1H3
InChIKey
ZIRYAGYAERUHBW-UHFFFAOYSA-N
Compound name
5-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl]-2-propyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

450.14185 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14913 207.8
[M+Na]+ 473.13107 218.2
[M-H]- 449.13457 211.2
[M+NH4]+ 468.17567 219.8
[M+K]+ 489.10501 209.2
[M+H-H2O]+ 433.13911 193.9
[M+HCOO]- 495.14005 220.5
[M+CH3COO]- 509.15570 235.0
[M+Na-2H]- 471.11652 203.1
[M]+ 450.14130 203.1
[M]- 450.14240 203.1
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