CID 90049228

Tfpo-cf2-5dfb

Structural Information

Molecular Formula
C24H19F7O
SMILES
CCCCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F
InChI
InChI=1S/C24H19F7O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-18(25)22(19(26)11-16)24(30,31)32-17-12-20(27)23(29)21(28)13-17/h6-13H,2-5H2,1H3
InChIKey
XKGGKOGNCFXWMD-UHFFFAOYSA-N
Compound name
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-pentylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

456.13242 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13970 207.7
[M+Na]+ 479.12164 218.4
[M-H]- 455.12514 208.8
[M+NH4]+ 474.16624 216.8
[M+K]+ 495.09558 209.6
[M+H-H2O]+ 439.12968 191.9
[M+HCOO]- 501.13062 220.4
[M+CH3COO]- 515.14627 237.0
[M+Na-2H]- 477.10709 203.5
[M]+ 456.13187 203.0
[M]- 456.13297 203.0
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