CID 12823260

5-(bromomethyl)-4-chloro-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H6BrClN2
SMILES
CN1C(=C(C=N1)Cl)CBr
InChI
InChI=1S/C5H6BrClN2/c1-9-5(2-6)4(7)3-8-9/h3H,2H2,1H3
InChIKey
AZGHZEWFGLECRM-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-4-chloro-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.94029 Da
Monoisotopic Mass

1.5
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.

Patent stripe

patents stripe