CID 155214362

Imdatifan

Structural Information

Molecular Formula
C18H9F6NO2
SMILES
C1[C@@H](C2=C(C=CC3=C2[C@]1(C(C3(F)F)(F)F)O)OC4=CC(=CC(=C4)C#N)F)F
InChI
InChI=1S/C18H9F6NO2/c19-9-3-8(7-25)4-10(5-9)27-13-2-1-11-15-14(13)12(20)6-16(15,26)18(23,24)17(11,21)22/h1-5,12,26H,6H2/t12-,16+/m0/s1
InChIKey
ZIEZRTWLAIDXDH-BLLLJJGKSA-N
Compound name
3-fluoro-5-[[(4R,6S)-2,2,3,3,6-pentafluoro-4-hydroxy-8-tricyclo[5.3.1.04,11]undeca-1(11),7,9-trienyl]oxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

385.05374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06102 178.0
[M+Na]+ 408.04296 184.9
[M+NH4]+ 403.08756 181.2
[M+K]+ 424.01690 175.4
[M-H]- 384.04646 167.6
[M+Na-2H]- 406.02841 178.2
[M]+ 385.05319 175.5
[M]- 385.05429 175.5
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