CID 16043668

5-(3-bromo-phenyl)-2h-pyrazol-3-ylamine

Structural Information

Molecular Formula
C9H8BrN3
SMILES
C1=CC(=CC(=C1)Br)C2=CC(=NN2)N
InChI
InChI=1S/C9H8BrN3/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey
NQFSHBKZGKSELV-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

236.99016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99744 142.6
[M+Na]+ 259.97938 154.9
[M-H]- 235.98288 148.3
[M+NH4]+ 255.02398 162.2
[M+K]+ 275.95332 142.2
[M+H-H2O]+ 219.98742 141.3
[M+HCOO]- 281.98836 163.5
[M+CH3COO]- 296.00401 157.2
[M+Na-2H]- 257.96483 149.4
[M]+ 236.98961 157.9
[M]- 236.99071 157.9
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