CID 134241660

Tfpo-cf2-2cpdfp

Structural Information

Molecular Formula
C26H21F7O
SMILES
CCC1CCC(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/C26H21F7O/c1-2-14-3-4-17(9-14)15-5-7-16(8-6-15)18-10-20(27)24(21(28)11-18)26(32,33)34-19-12-22(29)25(31)23(30)13-19/h5-8,10-14,17H,2-4,9H2,1H3
InChIKey
CCQUIOYURDTGET-UHFFFAOYSA-N
Compound name
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[4-(3-ethylcyclopentyl)phenyl]-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 214.3
[M+Na]+ 505.13729 224.2
[M-H]- 481.14079 218.5
[M+NH4]+ 500.18189 223.8
[M+K]+ 521.11123 214.9
[M+H-H2O]+ 465.14533 198.9
[M+HCOO]- 527.14627 225.7
[M+CH3COO]- 541.16192 240.3
[M+Na-2H]- 503.12274 206.3
[M]+ 482.14752 206.6
[M]- 482.14862 206.6
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