CID 13303430

3-(4-bromophenyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C9H8BrN3
SMILES
C1=CC(=CC=C1C2=C(C=NN2)N)Br
InChI
InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,11H2,(H,12,13)
InChIKey
HCQTVTWAYCKVBL-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.99016 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99744 148.3
[M+Na]+ 259.97938 151.6
[M+NH4]+ 255.02398 152.8
[M+K]+ 275.95332 152.8
[M-H]- 235.98288 149.6
[M+Na-2H]- 257.96483 152.5
[M]+ 236.98961 147.8
[M]- 236.99071 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.