CID 53217378

1215205-35-8

Structural Information

Molecular Formula

C₇H₅BrF₃NO

SMILES

CN1C=C(C=C(C1=O)Br)C(F)(F)F

InChI

InChI=1S/C7H5BrF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3

InChIKey

FTCGYBIUAXXLHH-UHFFFAOYSA-N

Compound name

3-bromo-1-methyl-5-(trifluoromethyl)pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 254.95065 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.95793	153.8
[M+Na]+	277.93987	155.9
[M+NH4]+	272.98447	156.1
[M+K]+	293.91381	155.9
[M-H]-	253.94337	149.6
[M+Na-2H]-	275.92532	154.8
[M]+	254.95010	151.7
[M]-	254.95120	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe