CID 24844582

102206-82-6

Structural Information

Molecular Formula
C17H11F18NO3
SMILES
C1=C(C=C(N=C1C(CO)(C(F)(F)F)C(F)(F)F)C(CO)(C(F)(F)F)C(F)(F)F)C(CO)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H11F18NO3/c18-12(19,20)9(3-37,13(21,22)23)6-1-7(10(4-38,14(24,25)26)15(27,28)29)36-8(2-6)11(5-39,16(30,31)32)17(33,34)35/h1-2,37-39H,3-5H2
InChIKey
SQHNRKBXICTCDU-UHFFFAOYSA-N
Compound name
2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]pyridin-4-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

619.04517 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.05245 160.2
[M+Na]+ 642.03439 160.2
[M+NH4]+ 637.07899 160.0
[M+K]+ 658.00833 160.8
[M-H]- 618.03789 159.2
[M+Na-2H]- 640.01984 160.7
[M]+ 619.04462 159.9
[M]- 619.04572 159.9
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.