CID 735737

1-[(2-chloro-6-fluorophenyl)methyl]piperazine

Structural Information

Molecular Formula
C11H14ClFN2
SMILES
C1CN(CCN1)CC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C11H14ClFN2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKey
PBJVZHBDDDMHIT-UHFFFAOYSA-N
Compound name
1-[(2-chloro-6-fluorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

228.08295 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09023 149.0
[M+Na]+ 251.07217 156.1
[M-H]- 227.07567 149.3
[M+NH4]+ 246.11677 164.3
[M+K]+ 267.04611 150.0
[M+H-H2O]+ 211.08021 140.3
[M+HCOO]- 273.08115 160.1
[M+CH3COO]- 287.09680 159.4
[M+Na-2H]- 249.05762 152.6
[M]+ 228.08240 143.5
[M]- 228.08350 143.5
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