CID 16227689

5-chloro-4-(chloromethyl)-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8Cl2N2
SMILES
CC1=NN(C(=C1CCl)Cl)C
InChI
InChI=1S/C6H8Cl2N2/c1-4-5(3-7)6(8)10(2)9-4/h3H2,1-2H3
InChIKey
XOTLGNMHWAMHQF-UHFFFAOYSA-N
Compound name
5-chloro-4-(chloromethyl)-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.00645 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01373 132.9
[M+Na]+ 200.99567 145.1
[M-H]- 176.99917 133.7
[M+NH4]+ 196.04027 154.0
[M+K]+ 216.96961 140.7
[M+H-H2O]+ 161.00371 127.6
[M+HCOO]- 223.00465 146.4
[M+CH3COO]- 237.02030 180.0
[M+Na-2H]- 198.98112 136.6
[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

patents stripe