CID 61016669

3,5-difluoro-4-(piperidin-1-yl)aniline

Structural Information

Molecular Formula
C11H14F2N2
SMILES
C1CCN(CC1)C2=C(C=C(C=C2F)N)F
InChI
InChI=1S/C11H14F2N2/c12-9-6-8(14)7-10(13)11(9)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKey
CKKZUIOLIHARES-UHFFFAOYSA-N
Compound name
3,5-difluoro-4-piperidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

212.1125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.119776 145.7
[M+Na]+ 235.101718 152.6
[M-H]- 211.105224 147.6
[M+NH4]+ 230.146323 162.6
[M+K]+ 251.075658 148.5
[M+H-H2O]+ 195.109760 136.2
[M+HCOO]- 257.110701 163.6
[M+CH3COO]- 271.126351 189.6
[M+Na-2H]- 233.087166 148.2
[M]+ 212.11195142 137.1
[M]- 212.11304858 137.1
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