CID 11506734

(2r)-1-(3,5-difluorophenyl)-2-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C11H14F2N2
SMILES
C[C@@H]1CNCCN1C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C11H14F2N2/c1-8-7-14-2-3-15(8)11-5-9(12)4-10(13)6-11/h4-6,8,14H,2-3,7H2,1H3/t8-/m1/s1
InChIKey
XIBGROAXEIYBKJ-MRVPVSSYSA-N
Compound name
(2R)-1-(3,5-difluorophenyl)-2-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

212.1125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.119776 146.7
[M+Na]+ 235.101718 154.1
[M-H]- 211.105224 146.3
[M+NH4]+ 230.146323 162.1
[M+K]+ 251.075658 149.3
[M+H-H2O]+ 195.109760 136.9
[M+HCOO]- 257.110701 161.4
[M+CH3COO]- 271.126351 185.6
[M+Na-2H]- 233.087166 149.4
[M]+ 212.11195142 138.5
[M]- 212.11304858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe