CID 137951912

4-bromo-5-chloro-3-(chloromethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H5BrCl2N2
SMILES
CN1C(=C(C(=N1)CCl)Br)Cl
InChI
InChI=1S/C5H5BrCl2N2/c1-10-5(8)4(6)3(2-7)9-10/h2H2,1H3
InChIKey
YHXNEGUEFHAJRH-UHFFFAOYSA-N
Compound name
4-bromo-5-chloro-3-(chloromethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.90132 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.90860 135.9
[M+Na]+ 264.89054 152.3
[M-H]- 240.89404 139.8
[M+NH4]+ 259.93514 158.2
[M+K]+ 280.86448 139.0
[M+H-H2O]+ 224.89858 136.6
[M+HCOO]- 286.89952 148.0
[M+CH3COO]- 300.91517 187.1
[M+Na-2H]- 262.87599 141.8
[M]+ 241.90077 157.5
[M]- 241.90187 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.