CID 56828115

2-(piperidin-4-yl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C12H15F3N2
SMILES
C1CNCCC1C2=C(C=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)9-1-2-10(11(16)7-9)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6,16H2
InChIKey
ZPSHOXCULHNASS-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.11873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.126006 153.6
[M+Na]+ 267.107948 159.3
[M-H]- 243.111454 152.5
[M+NH4]+ 262.152553 168.3
[M+K]+ 283.081888 154.1
[M+H-H2O]+ 227.115990 143.7
[M+HCOO]- 289.116931 167.1
[M+CH3COO]- 303.132581 191.5
[M+Na-2H]- 265.093396 156.0
[M]+ 244.11818142 141.4
[M]- 244.11927858 141.4
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