CID 60773650

1-(2-bromophenyl)-5-methyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
CC1=CC(=NN1C2=CC=CC=C2Br)C(=O)O
InChI
InChI=1S/C11H9BrN2O2/c1-7-6-9(11(15)16)13-14(7)10-5-3-2-4-8(10)12/h2-6H,1H3,(H,15,16)
InChIKey
UMKODNWMWBZDJP-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-5-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99202 156.5
[M+Na]+ 302.97396 160.1
[M+NH4]+ 298.01856 160.0
[M+K]+ 318.94790 162.1
[M-H]- 278.97746 156.6
[M+Na-2H]- 300.95941 159.6
[M]+ 279.98419 155.7
[M]- 279.98529 155.7
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.