CID 134437981

Tfpo-cf2-2hfadfp

Structural Information

Molecular Formula
C25H19F7O2
SMILES
CCC1CCC(O1)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/C25H19F7O2/c1-2-16-7-8-22(33-16)14-5-3-13(4-6-14)15-9-18(26)23(19(27)10-15)25(31,32)34-17-11-20(28)24(30)21(29)12-17/h3-6,9-12,16,22H,2,7-8H2,1H3
InChIKey
VKBBTQSEWJLVAU-UHFFFAOYSA-N
Compound name
2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-5-ethyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

484.12732 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.13460 214.4
[M+Na]+ 507.11654 224.8
[M-H]- 483.12004 219.5
[M+NH4]+ 502.16114 222.5
[M+K]+ 523.09048 217.4
[M+H-H2O]+ 467.12458 199.3
[M+HCOO]- 529.12552 225.4
[M+CH3COO]- 543.14117 239.7
[M+Na-2H]- 505.10199 207.6
[M]+ 484.12677 208.4
[M]- 484.12787 208.4
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