CID 65815050

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

Structural Information

Molecular Formula
C10H8Cl2N2
SMILES
C1=CC(=CC=C1N2C=CC(=N2)CCl)Cl
InChI
InChI=1S/C10H8Cl2N2/c11-7-9-5-6-14(13-9)10-3-1-8(12)2-4-10/h1-6H,7H2
InChIKey
XSJHLPIPWYOPSS-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-(4-chlorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

226.00645 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01373 145.2
[M+Na]+ 248.99567 156.3
[M-H]- 224.99917 148.6
[M+NH4]+ 244.04027 163.8
[M+K]+ 264.96961 150.2
[M+H-H2O]+ 209.00371 137.8
[M+HCOO]- 271.00465 158.9
[M+CH3COO]- 285.02030 158.2
[M+Na-2H]- 246.98112 149.7
[M]+ 226.00590 148.1
[M]- 226.00700 148.1
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