CID 14280159

119610-21-8

Structural Information

Molecular Formula

C₆H₄ClF₃N₂O₂S

SMILES

CS(=O)(=O)C1=NC(=CC(=N1)Cl)C(F)(F)F

InChI

InChI=1S/C6H4ClF3N2O2S/c1-15(13,14)5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3

InChIKey

QOGLJWXUTLRNMB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 259.9634 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]+	260.97068	143.4
[M+Na]+	282.95262	155.7
[M-H]-	258.95612	141.7
[M+NH4]+	277.99722	159.3
[M+K]+	298.92656	150.9
[M+H-H2O]+	242.96066	135.5
[M+HCOO]-	304.96160	151.0
[M+CH3COO]-	318.97725	188.3
[M+Na-2H]-	280.93807	147.8
[M]+	259.96285	144.6
[M]-	259.96395	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe