CID 82673659

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

Structural Information

Molecular Formula
C11H14F2N2
SMILES
CN1CCNCC1C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C11H14F2N2/c1-15-3-2-14-7-11(15)8-4-9(12)6-10(13)5-8/h4-6,11,14H,2-3,7H2,1H3
InChIKey
XLDKIWJPXIDOGJ-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-1-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1125 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11978 146.7
[M+Na]+ 235.10172 154.1
[M-H]- 211.10522 146.3
[M+NH4]+ 230.14632 162.1
[M+K]+ 251.07566 149.3
[M+H-H2O]+ 195.10976 136.9
[M+HCOO]- 257.11070 161.4
[M+CH3COO]- 271.12635 185.6
[M+Na-2H]- 233.08717 149.4
[M]+ 212.11195 138.5
[M]- 212.11305 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

No patent data available for this compound.