CID 145843095

3chtfmeodfpfp

Structural Information

Molecular Formula
C22H22F6O
SMILES
CCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)OC(F)(F)F)F)F
InChI
InChI=1S/C22H22F6O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(23)10-15)16-11-19(24)21(20(25)12-16)29-22(26,27)28/h8-14H,2-7H2,1H3
InChIKey
ADISFGVJPROZSW-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.15747 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16475 198.7
[M+Na]+ 439.14669 206.5
[M-H]- 415.15019 200.1
[M+NH4]+ 434.19129 209.1
[M+K]+ 455.12063 199.0
[M+H-H2O]+ 399.15473 184.3
[M+HCOO]- 461.15567 209.1
[M+CH3COO]- 475.17132 227.8
[M+Na-2H]- 437.13214 194.1
[M]+ 416.15692 189.8
[M]- 416.15802 189.8
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

No patent data available for this compound.