CID 10987219

1-(3,5-difluorophenyl)piperazine

Structural Information

Molecular Formula
C10H12F2N2
SMILES
C1CN(CCN1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C10H12F2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKey
TWSOQIHDPMMWAJ-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

198.09685 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10413 141.9
[M+Na]+ 221.08607 148.8
[M-H]- 197.08957 141.3
[M+NH4]+ 216.13067 157.6
[M+K]+ 237.06001 144.2
[M+H-H2O]+ 181.09411 132.0
[M+HCOO]- 243.09505 157.0
[M+CH3COO]- 257.11070 152.5
[M+Na-2H]- 219.07152 146.0
[M]+ 198.09630 133.0
[M]- 198.09740 133.0
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