CID 2333890

4-(chloromethyl)-3-(4-chlorophenyl)-1-phenyl-1h-pyrazole

Structural Information

Molecular Formula
C16H12Cl2N2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CCl
InChI
InChI=1S/C16H12Cl2N2/c17-10-13-11-20(15-4-2-1-3-5-15)19-16(13)12-6-8-14(18)9-7-12/h1-9,11H,10H2
InChIKey
JNYLUNACJAOEIB-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-(4-chlorophenyl)-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.03775 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04503 167.3
[M+Na]+ 325.02697 178.2
[M-H]- 301.03047 173.7
[M+NH4]+ 320.07157 182.6
[M+K]+ 341.00091 170.0
[M+H-H2O]+ 285.03501 158.0
[M+HCOO]- 347.03595 180.3
[M+CH3COO]- 361.05160 178.9
[M+Na-2H]- 323.01242 170.0
[M]+ 302.03720 170.6
[M]- 302.03830 170.6
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