CID 2819635

3-(4-bromophenyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CN1C=CC(=N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2/c1-13-7-6-10(12-13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKey
GZQYXOYGTVBFQA-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

235.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.002176 142.2
[M+Na]+ 258.984118 155.6
[M-H]- 234.987624 149.7
[M+NH4]+ 254.028723 163.2
[M+K]+ 274.958058 144.4
[M+H-H2O]+ 218.992160 141.4
[M+HCOO]- 280.993101 163.9
[M+CH3COO]- 295.008751 158.0
[M+Na-2H]- 256.969566 149.6
[M]+ 235.99435142 161.3
[M]- 235.99544858 161.3
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