CID 22329555

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

235.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 142.2
[M+Na]+ 258.98412 155.6
[M-H]- 234.98762 149.7
[M+NH4]+ 254.02872 163.2
[M+K]+ 274.95806 144.4
[M+H-H2O]+ 218.99216 141.4
[M+HCOO]- 280.99310 163.9
[M+CH3COO]- 295.00875 158.0
[M+Na-2H]- 256.96957 149.6
[M]+ 235.99435 161.3
[M]- 235.99545 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