CID 46738254

866648-53-5

Structural Information

Molecular Formula

C₇H₇ClF₃N₃

SMILES

CN(C)C1=CC(=NC(=N1)C(F)(F)F)Cl

InChI

InChI=1S/C7H7ClF3N3/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11/h3H,1-2H3

InChIKey

RCRUAWWNTTTYOS-UHFFFAOYSA-N

Compound name

6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 225.02806 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]+	226.03534	140.4
[M+Na]+	248.01728	151.2
[M-H]-	224.02078	139.4
[M+NH4]+	243.06188	157.6
[M+K]+	263.99122	148.0
[M+H-H2O]+	208.02532	131.3
[M+HCOO]-	270.02626	155.1
[M+CH3COO]-	284.04191	193.0
[M+Na-2H]-	246.00273	146.4
[M]+	225.02751	139.7
[M]-	225.02861	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe