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]+ 256.063596 155.3
[M+Na]+ 278.045538 165.7
[M-H]- 254.049044 161.1
[M+NH4]+ 273.090143 170.3
[M+K]+ 294.019478 159.0
[M+H-H2O]+ 238.053580 145.0
[M+HCOO]- 300.054521 172.8
[M+CH3COO]- 314.070171 167.6
[M+Na-2H]- 276.030986 160.7
[M]+ 255.05577142 156.7
[M]- 255.05686858 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