CID 1229849

1-[(2-chloro-4-fluorophenyl)methyl]piperazine

Structural Information

Molecular Formula
C11H14ClFN2
SMILES
C1CN(CCN1)CC2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C11H14ClFN2/c12-11-7-10(13)2-1-9(11)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKey
WWHXLQXVHUCVRZ-UHFFFAOYSA-N
Compound name
1-[(2-chloro-4-fluorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

No literature data available for this compound.

Patent stripe

patents stripe