CID 25067267

1582-25-8

Structural Information

Molecular Formula

C₆H₄ClF₃N₂

SMILES

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

InChI

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

InChIKey

UZGKRWRIUHIHDE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
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]+	197.008786	131.5
[M+Na]+	218.990728	143.5
[M-H]-	194.994234	129.2
[M+NH4]+	214.035333	149.6
[M+K]+	234.964668	139.2
[M+H-H2O]+	178.998770	123.2
[M+HCOO]-	240.999711	145.0
[M+CH3COO]-	255.015361	181.8
[M+Na-2H]-	216.976176	138.4
[M]+	196.00096142	129.9
[M]-	196.00205858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe