CID 667619

132834-59-4

Structural Information

Molecular Formula

C₁₀H₁₁ClF₃N₃

SMILES

C1CN(CCN1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C10H11ClF3N3/c11-8-5-7(10(12,13)14)6-16-9(8)17-3-1-15-2-4-17/h5-6,15H,1-4H2

InChIKey

RRIPRMGRQRYRRG-UHFFFAOYSA-N

Compound name

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 224
Patents: 265.05936 Da
Monoisotopic Mass: 2.2
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]+	266.06664	155.9
[M+Na]+	288.04858	165.6
[M+NH4]+	283.09318	161.0
[M+K]+	304.02252	160.1
[M-H]-	264.05208	153.0
[M+Na-2H]-	286.03403	160.5
[M]+	265.05881	156.3
[M]-	265.05991	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe