CID 15956841

Schembl6448623

Structural Information

Molecular Formula
C15H10Cl2FN3O
SMILES
COC1=CC(=C(C=C1)C2=CC=NN2C3=C(C=NC=C3Cl)Cl)F
InChI
InChI=1S/C15H10Cl2FN3O/c1-22-9-2-3-10(13(18)6-9)14-4-5-20-21(14)15-11(16)7-19-8-12(15)17/h2-8H,1H3
InChIKey
ACEHYLSJRPJNQC-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-[5-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.0185 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02578 171.4
[M+Na]+ 360.00772 184.2
[M-H]- 336.01122 176.0
[M+NH4]+ 355.05232 184.3
[M+K]+ 375.98166 176.5
[M+H-H2O]+ 320.01576 160.6
[M+HCOO]- 382.01670 182.4
[M+CH3COO]- 396.03235 182.7
[M+Na-2H]- 357.99317 172.7
[M]+ 337.01795 175.9
[M]- 337.01905 175.9
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