CID 19009749

5993-98-6

Structural Information

Molecular Formula

C₆H₄ClF₃N₂

SMILES

CC1=NC(=CC(=N1)Cl)C(F)(F)F

InChI

InChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3

InChIKey

JYLBKMNTQSEPJM-UHFFFAOYSA-N

Compound name

4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 196.00151 Da
Monoisotopic Mass: 2.5
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]+	197.00879	137.0
[M+Na]+	218.99073	148.1
[M+NH4]+	214.03533	142.9
[M+K]+	234.96467	142.7
[M-H]-	194.99423	133.5
[M+Na-2H]-	216.97618	142.2
[M]+	196.00096	137.6
[M]-	196.00206	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe