CID 24229714

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

Structural Information

Molecular Formula
C5H6BrClN2
SMILES
CN1C=C(C(=N1)CCl)Br
InChI
InChI=1S/C5H6BrClN2/c1-9-3-4(6)5(2-7)8-9/h3H,2H2,1H3
InChIKey
WHHNKVUVLZLAAM-UHFFFAOYSA-N
Compound name
4-bromo-3-(chloromethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.94029 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94757 131.3
[M+Na]+ 230.92951 146.5
[M-H]- 206.93301 135.7
[M+NH4]+ 225.97411 154.4
[M+K]+ 246.90345 134.6
[M+H-H2O]+ 190.93755 131.6
[M+HCOO]- 252.93849 148.5
[M+CH3COO]- 266.95414 181.6
[M+Na-2H]- 228.91496 138.6
[M]+ 207.93974 152.3
[M]- 207.94084 152.3
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.

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No patent data available for this compound.