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

5
Patents

251.0558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06308 150.9
[M+Na]+ 274.04502 159.6
[M-H]- 250.04852 152.6
[M+NH4]+ 269.08962 166.3
[M+K]+ 290.01896 155.2
[M+H-H2O]+ 234.05306 140.6
[M+HCOO]- 296.05400 168.9
[M+CH3COO]- 310.06965 192.7
[M+Na-2H]- 272.03047 156.5
[M]+ 251.05525 146.7
[M]- 251.05635 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