CID 43542923

1-(2-bromophenyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C9H8BrN3
SMILES
C1=CC=C(C(=C1)N2C=C(C=N2)N)Br
InChI
InChI=1S/C9H8BrN3/c10-8-3-1-2-4-9(8)13-6-7(11)5-12-13/h1-6H,11H2
InChIKey
OGYVEUYKTGXLMP-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 141.9
[M+Na]+ 259.97938 154.6
[M-H]- 235.98288 148.9
[M+NH4]+ 255.02398 162.1
[M+K]+ 275.95332 142.9
[M+H-H2O]+ 219.98742 140.4
[M+HCOO]- 281.98836 164.2
[M+CH3COO]- 296.00401 157.2
[M+Na-2H]- 257.96483 149.1
[M]+ 236.98961 159.0
[M]- 236.99071 159.0
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

patents stripe