CID 10104416

149771-24-4

Structural Information

Molecular Formula

C₇H₅F₃N₂O₂

SMILES

CC1=NC=C(C(=N1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C7H5F3N2O2/c1-3-11-2-4(6(13)14)5(12-3)7(8,9)10/h2H,1H3,(H,13,14)

InChIKey

BECLGVAKEOAIAW-UHFFFAOYSA-N

Compound name

2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 206.03032 Da
Monoisotopic Mass: 1.0
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]+	207.03760	143.9
[M+Na]+	229.01954	152.6
[M+NH4]+	224.06414	147.7
[M+K]+	244.99348	149.5
[M-H]-	205.02304	138.5
[M+Na-2H]-	227.00499	146.8
[M]+	206.02977	143.2
[M]-	206.03087	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe