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

116
Patents

212.1125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11978 145.3
[M+Na]+ 235.10172 152.3
[M-H]- 211.10522 147.3
[M+NH4]+ 230.14632 164.0
[M+K]+ 251.07566 148.5
[M+H-H2O]+ 195.10976 136.3
[M+HCOO]- 257.11070 163.4
[M+CH3COO]- 271.12635 188.0
[M+Na-2H]- 233.08717 149.7
[M]+ 212.11195 136.7
[M]- 212.11305 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