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

96
Patents

236.99016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.997436 142.6
[M+Na]+ 259.979378 154.9
[M-H]- 235.982884 148.3
[M+NH4]+ 255.023983 162.2
[M+K]+ 275.953318 142.2
[M+H-H2O]+ 219.987420 141.3
[M+HCOO]- 281.988361 163.5
[M+CH3COO]- 296.004011 157.2
[M+Na-2H]- 257.964826 149.4
[M]+ 236.98961142 157.9
[M]- 236.99070858 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