CID 71419755

1-[4-(tridecafluorohexyl)phenyl]pyridin-4(1h)-one

Structural Information

Molecular Formula
C17H8F13NO
SMILES
C1=CC(=CC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N2C=CC(=O)C=C2
InChI
InChI=1S/C17H8F13NO/c18-12(19,9-1-3-10(4-2-9)31-7-5-11(32)6-8-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h1-8H
InChIKey
HNLQYAWUSZHFES-UHFFFAOYSA-N
Compound name
1-[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

489.03983 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.04711 201.8
[M+Na]+ 512.02905 212.1
[M-H]- 488.03255 192.6
[M+NH4]+ 507.07365 207.2
[M+K]+ 528.00299 205.2
[M+H-H2O]+ 472.03709 184.4
[M+HCOO]- 534.03803 200.6
[M+CH3COO]- 548.05368 235.2
[M+Na-2H]- 510.01450 204.5
[M]+ 489.03928 183.4
[M]- 489.04038 183.4
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.