CID 9795997

4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenol

Structural Information

Molecular Formula
C12H7ClF3NO2
SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C12H7ClF3NO2/c13-10-5-7(12(14,15)16)6-17-11(10)19-9-3-1-8(18)2-4-9/h1-6,18H
InChIKey
NMJNUBBLJFJUKE-UHFFFAOYSA-N
Compound name
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

162
Patents

289.01175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.01903 160.0
[M+Na]+ 312.00097 171.9
[M+NH4]+ 307.04557 165.5
[M+K]+ 327.97491 165.9
[M-H]- 288.00447 158.4
[M+Na-2H]- 309.98642 166.3
[M]+ 289.01120 161.3
[M]- 289.01230 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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