CID 58803022

3-(difluoromethyl)-1-methylpiperazine

Structural Information

Molecular Formula

C₆H₁₂F₂N₂

SMILES

CN1CCNC(C1)C(F)F

InChI

InChI=1S/C6H12F2N2/c1-10-3-2-9-5(4-10)6(7)8/h5-6,9H,2-4H2,1H3

InChIKey

LTHINKGRIPSLJY-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)-1-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 150.09685 Da
Monoisotopic Mass: 0.5
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]+	151.10413	131.4
[M+Na]+	173.08607	137.3
[M-H]-	149.08957	127.5
[M+NH4]+	168.13067	149.0
[M+K]+	189.06001	135.4
[M+H-H2O]+	133.09411	122.9
[M+HCOO]-	195.09505	145.2
[M+CH3COO]-	209.11070	173.5
[M+Na-2H]-	171.07152	134.5
[M]+	150.09630	122.4
[M]-	150.09740	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe