CID 2783123

1-(4-chloro-2-fluorophenyl)piperazine

Structural Information

Molecular Formula
C10H12ClFN2
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C10H12ClFN2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKey
IPILNCXNYGCVDJ-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

214.0673 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07458 144.5
[M+Na]+ 237.05652 152.0
[M-H]- 213.06002 144.9
[M+NH4]+ 232.10112 160.4
[M+K]+ 253.03046 146.2
[M+H-H2O]+ 197.06456 136.0
[M+HCOO]- 259.06550 155.9
[M+CH3COO]- 273.08115 155.3
[M+Na-2H]- 235.04197 148.7
[M]+ 214.06675 138.6
[M]- 214.06785 138.6
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