CID 59822722

1-(3,5-difluoro-4-methoxyphenyl)piperazine

Structural Information

Molecular Formula
C11H14F2N2O
SMILES
COC1=C(C=C(C=C1F)N2CCNCC2)F
InChI
InChI=1S/C11H14F2N2O/c1-16-11-9(12)6-8(7-10(11)13)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKey
YELLYPZWVJIJFO-UHFFFAOYSA-N
Compound name
1-(3,5-difluoro-4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

228.10742 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11470 149.9
[M+Na]+ 251.09664 157.2
[M-H]- 227.10014 149.5
[M+NH4]+ 246.14124 164.6
[M+K]+ 267.07058 152.9
[M+H-H2O]+ 211.10468 139.8
[M+HCOO]- 273.10562 164.8
[M+CH3COO]- 287.12127 187.6
[M+Na-2H]- 249.08209 152.6
[M]+ 228.10687 143.1
[M]- 228.10797 143.1
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