CID 66023036

4-(5-chloro-3-phenyl-1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula
C14H10ClN3
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)Cl)C3=CC=NC=C3
InChI
InChI=1S/C14H10ClN3/c15-14-10-13(11-4-2-1-3-5-11)17-18(14)12-6-8-16-9-7-12/h1-10H
InChIKey
QLFQWCVOFKCBAD-UHFFFAOYSA-N
Compound name
4-(5-chloro-3-phenylpyrazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.05632 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06360 155.3
[M+Na]+ 278.04554 165.7
[M-H]- 254.04904 161.1
[M+NH4]+ 273.09014 170.3
[M+K]+ 294.01948 159.0
[M+H-H2O]+ 238.05358 145.0
[M+HCOO]- 300.05452 172.8
[M+CH3COO]- 314.07017 167.6
[M+Na-2H]- 276.03099 160.7
[M]+ 255.05577 156.7
[M]- 255.05687 156.7
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