CID 135465525

5-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridyl]pyrazol-3-yl]phenol

Structural Information

Molecular Formula
C16H12F3N3O2
SMILES
COC1=CC(=C(C=C1)C2=NN(C=C2)C3=C(C=CC=N3)C(F)(F)F)O
InChI
InChI=1S/C16H12F3N3O2/c1-24-10-4-5-11(14(23)9-10)13-6-8-22(21-13)15-12(16(17,18)19)3-2-7-20-15/h2-9,23H,1H3
InChIKey
QSUBIVSEAJQILT-UHFFFAOYSA-N
Compound name
5-methoxy-2-[1-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.08817 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09545 174.1
[M+Na]+ 358.07739 184.6
[M-H]- 334.08089 176.0
[M+NH4]+ 353.12199 184.8
[M+K]+ 374.05133 178.4
[M+H-H2O]+ 318.08543 161.9
[M+HCOO]- 380.08637 189.8
[M+CH3COO]- 394.10202 206.0
[M+Na-2H]- 356.06284 176.4
[M]+ 335.08762 172.3
[M]- 335.08872 172.3
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