CID 134437982

Tfpo-cf2-hfadfp

Structural Information

Molecular Formula
C23H15F7O2
SMILES
C1CC(OC1)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/C23H15F7O2/c24-16-8-14(12-3-5-13(6-4-12)20-2-1-7-31-20)9-17(25)21(16)23(29,30)32-15-10-18(26)22(28)19(27)11-15/h3-6,8-11,20H,1-2,7H2
InChIKey
GLJUVUYVYLKNND-UHFFFAOYSA-N
Compound name
2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

456.09604 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10332 204.7
[M+Na]+ 479.08526 215.2
[M-H]- 455.08876 209.9
[M+NH4]+ 474.12986 213.8
[M+K]+ 495.05920 208.2
[M+H-H2O]+ 439.09330 189.8
[M+HCOO]- 501.09424 216.5
[M+CH3COO]- 515.10989 232.8
[M+Na-2H]- 477.07071 199.8
[M]+ 456.09549 197.7
[M]- 456.09659 197.7
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