CID 2783353

1-(2,5-difluorobenzyl)piperazine

Structural Information

Molecular Formula
C11H14F2N2
SMILES
C1CN(CCN1)CC2=C(C=CC(=C2)F)F
InChI
InChI=1S/C11H14F2N2/c12-10-1-2-11(13)9(7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKey
VTKXPESKKMTHJP-UHFFFAOYSA-N
Compound name
1-[(2,5-difluorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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 146.5
[M+Na]+ 235.10172 152.9
[M-H]- 211.10522 145.7
[M+NH4]+ 230.14632 161.5
[M+K]+ 251.07566 148.1
[M+H-H2O]+ 195.10976 136.3
[M+HCOO]- 257.11070 161.2
[M+CH3COO]- 271.12635 184.4
[M+Na-2H]- 233.08717 149.9
[M]+ 212.11195 137.9
[M]- 212.11305 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe