CID 64834243

1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine

Structural Information

Molecular Formula
C13H19FN2
SMILES
CC1(CN(CCN1)CC2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H19FN2/c1-13(2)10-16(8-7-15-13)9-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKey
CFXKHJHZLHEBFN-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.15323 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.160506 152.2
[M+Na]+ 245.142448 158.8
[M-H]- 221.145954 153.0
[M+NH4]+ 240.187053 169.1
[M+K]+ 261.116388 154.3
[M+H-H2O]+ 205.150490 143.3
[M+HCOO]- 267.151431 167.5
[M+CH3COO]- 281.167081 187.2
[M+Na-2H]- 243.127896 156.3
[M]+ 222.15268142 145.8
[M]- 222.15377858 145.8
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