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]+ 229.114696 149.9
[M+Na]+ 251.096638 157.2
[M-H]- 227.100144 149.5
[M+NH4]+ 246.141243 164.6
[M+K]+ 267.070578 152.9
[M+H-H2O]+ 211.104680 139.8
[M+HCOO]- 273.105621 164.8
[M+CH3COO]- 287.121271 187.6
[M+Na-2H]- 249.082086 152.6
[M]+ 228.10687142 143.1
[M]- 228.10796858 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