CID 90480914

4-chloro-3-(chloromethyl)-1-ethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8Cl2N2
SMILES
CCN1C=C(C(=N1)CCl)Cl
InChI
InChI=1S/C6H8Cl2N2/c1-2-10-4-5(8)6(3-7)9-10/h4H,2-3H2,1H3
InChIKey
GQUOZSMMOGEVOT-UHFFFAOYSA-N
Compound name
4-chloro-3-(chloromethyl)-1-ethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.00645 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01373 133.3
[M+Na]+ 200.99567 144.6
[M-H]- 176.99917 133.7
[M+NH4]+ 196.04027 154.1
[M+K]+ 216.96961 140.2
[M+H-H2O]+ 161.00371 127.5
[M+HCOO]- 223.00465 146.7
[M+CH3COO]- 237.02030 178.9
[M+Na-2H]- 198.98112 137.7
[M]+ 178.00590 136.7
[M]- 178.00700 136.7
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

No patent data available for this compound.