CID 2333908

4-(chloromethyl)-1,3-diphenyl-1h-pyrazole

Structural Information

Molecular Formula
C16H13ClN2
SMILES
C1=CC=C(C=C1)C2=NN(C=C2CCl)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2/c17-11-14-12-19(15-9-5-2-6-10-15)18-16(14)13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKey
KIJMYHFMHWASDT-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1,3-diphenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

268.07672 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08400 160.9
[M+Na]+ 291.06594 178.6
[M+NH4]+ 286.11054 170.8
[M+K]+ 307.03988 170.1
[M-H]- 267.06944 167.3
[M+Na-2H]- 289.05139 173.0
[M]+ 268.07617 165.8
[M]- 268.07727 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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