CID 84705050

4-(piperidin-4-yl)-3-(trifluoromethyl)phenol hydrobromide

Structural Information

Molecular Formula
C12H14F3NO
SMILES
C1CNCCC1C2=C(C=C(C=C2)O)C(F)(F)F
InChI
InChI=1S/C12H14F3NO/c13-12(14,15)11-7-9(17)1-2-10(11)8-3-5-16-6-4-8/h1-2,7-8,16-17H,3-6H2
InChIKey
FPRADBDEYZNTDZ-UHFFFAOYSA-N
Compound name
4-piperidin-4-yl-3-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.10275 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11003 158.0
[M+Na]+ 268.09197 166.5
[M+NH4]+ 263.13657 163.4
[M+K]+ 284.06591 161.1
[M-H]- 244.09547 155.7
[M+Na-2H]- 266.07742 161.8
[M]+ 245.10220 158.2
[M]- 245.10330 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.