CID 65816729

3-(chloromethyl)-1-(2-chlorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H8Cl2N2
SMILES
C1=CC=C(C(=C1)N2C=CC(=N2)CCl)Cl
InChI
InChI=1S/C10H8Cl2N2/c11-7-8-5-6-14(13-8)10-4-2-1-3-9(10)12/h1-6H,7H2
InChIKey
UBSMNMQFCZSZKN-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-(2-chlorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00645 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.013726 145.2
[M+Na]+ 248.995668 156.3
[M-H]- 224.999174 148.6
[M+NH4]+ 244.040273 163.8
[M+K]+ 264.969608 150.2
[M+H-H2O]+ 209.003710 137.8
[M+HCOO]- 271.004651 158.9
[M+CH3COO]- 285.020301 158.2
[M+Na-2H]- 246.981116 149.7
[M]+ 226.00590142 148.1
[M]- 226.00699858 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

No patent data available for this compound.