CID 14820342

3-[3-(trifluoromethyl)benzoyl]pyridine

Structural Information

Molecular Formula
C13H8F3NO
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C13H8F3NO/c14-13(15,16)11-5-1-3-9(7-11)12(18)10-4-2-6-17-8-10/h1-8H
InChIKey
FJGQCZNRGLLONR-UHFFFAOYSA-N
Compound name
pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.0558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.063076 150.9
[M+Na]+ 274.045018 159.6
[M-H]- 250.048524 152.6
[M+NH4]+ 269.089623 166.3
[M+K]+ 290.018958 155.2
[M+H-H2O]+ 234.053060 140.6
[M+HCOO]- 296.054001 168.9
[M+CH3COO]- 310.069651 192.7
[M+Na-2H]- 272.030466 156.5
[M]+ 251.05525142 146.7
[M]- 251.05634858 146.7
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