CID 15956838

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

Structural Information

Molecular Formula
C16H10ClF4N3O
SMILES
COC1=CC(=C(C=C1)C2=NN(C=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)F
InChI
InChI=1S/C16H10ClF4N3O/c1-25-10-2-3-11(13(18)7-10)14-4-5-24(23-14)15-12(17)6-9(8-22-15)16(19,20)21/h2-8H,1H3
InChIKey
KFKYXCFFEHGBDF-UHFFFAOYSA-N
Compound name
3-chloro-2-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.04486 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05214 179.2
[M+Na]+ 394.03408 192.0
[M-H]- 370.03758 181.0
[M+NH4]+ 389.07868 190.3
[M+K]+ 410.00802 184.0
[M+H-H2O]+ 354.04212 166.0
[M+HCOO]- 416.04306 190.4
[M+CH3COO]- 430.05871 213.7
[M+Na-2H]- 392.01953 179.9
[M]+ 371.04431 179.3
[M]- 371.04541 179.3
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