CID 20654145

303186-20-1

Structural Information

Molecular Formula
C22H15F7O
SMILES
CCCC1=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/C22H15F7O/c1-2-3-12-4-6-13(7-5-12)14-8-16(23)20(17(24)9-14)22(28,29)30-15-10-18(25)21(27)19(26)11-15/h4-11H,2-3H2,1H3
InChIKey
YJUHXJQZJUQYJJ-UHFFFAOYSA-N
Compound name
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

310
Patents

428.1011 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.10838 198.3
[M+Na]+ 451.09032 210.0
[M-H]- 427.09382 199.9
[M+NH4]+ 446.13492 208.6
[M+K]+ 467.06426 201.5
[M+H-H2O]+ 411.09836 183.0
[M+HCOO]- 473.09930 211.8
[M+CH3COO]- 487.11495 231.3
[M+Na-2H]- 449.07577 195.3
[M]+ 428.10055 193.0
[M]- 428.10165 193.0
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