CID 60208802

4-(4,4-difluoro-1-piperidyl)aniline

Structural Information

Molecular Formula
C11H14F2N2
SMILES
C1CN(CCC1(F)F)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H14F2N2/c12-11(13)5-7-15(8-6-11)10-3-1-9(14)2-4-10/h1-4H,5-8,14H2
InChIKey
DOMCPPNXYDFOQU-UHFFFAOYSA-N
Compound name
4-(4,4-difluoropiperidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

212.1125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.119776 145.3
[M+Na]+ 235.101718 152.3
[M-H]- 211.105224 147.3
[M+NH4]+ 230.146323 164.0
[M+K]+ 251.075658 148.5
[M+H-H2O]+ 195.109760 136.3
[M+HCOO]- 257.110701 163.4
[M+CH3COO]- 271.126351 188.0
[M+Na-2H]- 233.087166 149.7
[M]+ 212.11195142 136.7
[M]- 212.11304858 136.7
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