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
4
Annotation Hits

0
References

166
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 155.6
[M+Na]+ 312.00097 166.8
[M-H]- 288.00447 156.5
[M+NH4]+ 307.04557 170.4
[M+K]+ 327.97491 160.8
[M+H-H2O]+ 272.00901 146.4
[M+HCOO]- 334.00995 168.9
[M+CH3COO]- 348.02560 195.2
[M+Na-2H]- 309.98642 160.8
[M]+ 289.01120 155.0
[M]- 289.01230 155.0
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

patents stripe