CID 50987738

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

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CC1=CN(N=C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H9BrN2/c1-8-6-12-13(7-8)10-4-2-3-9(11)5-10/h2-7H,1H3
InChIKey
OBLMLPKXOANXKE-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-4-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9949 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 146.9
[M+Na]+ 258.98412 151.9
[M+NH4]+ 254.02872 152.2
[M+K]+ 274.95806 152.1
[M-H]- 234.98762 148.6
[M+Na-2H]- 256.96957 152.2
[M]+ 235.99435 147.0
[M]- 235.99545 147.0
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

No patent data available for this compound.