CID 15956843

2-[5-(2-fluoro-4-methoxy-phenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C16H11F4N3O
SMILES
COC1=CC(=C(C=C1)C2=CC=NN2C3=C(C=CC=N3)C(F)(F)F)F
InChI
InChI=1S/C16H11F4N3O/c1-24-10-4-5-11(13(17)9-10)14-6-8-22-23(14)15-12(16(18,19)20)3-2-7-21-15/h2-9H,1H3
InChIKey
XVCZGRSFCXQSQM-UHFFFAOYSA-N
Compound name
2-[5-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.08383 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09111 173.7
[M+Na]+ 360.07305 185.0
[M-H]- 336.07655 175.5
[M+NH4]+ 355.11765 185.1
[M+K]+ 376.04699 178.5
[M+H-H2O]+ 320.08109 160.3
[M+HCOO]- 382.08203 189.6
[M+CH3COO]- 396.09768 209.0
[M+Na-2H]- 358.05850 175.7
[M]+ 337.08328 171.3
[M]- 337.08438 171.3
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