CID 135465519

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

Structural Information

Molecular Formula
C15H10F3N3O
SMILES
C1=CC=C(C(=C1)C2=NN(C=C2)C3=C(C=CC=N3)C(F)(F)F)O
InChI
InChI=1S/C15H10F3N3O/c16-15(17,18)11-5-3-8-19-14(11)21-9-7-12(20-21)10-4-1-2-6-13(10)22/h1-9,22H
InChIKey
DMCKVLIZIGWHIJ-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.0776 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08488 166.0
[M+Na]+ 328.06682 176.3
[M-H]- 304.07032 167.6
[M+NH4]+ 323.11142 177.8
[M+K]+ 344.04076 169.7
[M+H-H2O]+ 288.07486 153.9
[M+HCOO]- 350.07580 181.9
[M+CH3COO]- 364.09145 176.3
[M+Na-2H]- 326.05227 169.5
[M]+ 305.07705 162.1
[M]- 305.07815 162.1
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