CID 80364944

4-bromo-1-(4-fluorophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C9H7BrFN3
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)Br)N)F
InChI
InChI=1S/C9H7BrFN3/c10-8-5-13-14(9(8)12)7-3-1-6(11)2-4-7/h1-5H,12H2
InChIKey
UUFXTYRUHMSPII-UHFFFAOYSA-N
Compound name
4-bromo-2-(4-fluorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98074 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.98802 145.6
[M+Na]+ 277.96996 159.2
[M-H]- 253.97346 151.6
[M+NH4]+ 273.01456 165.3
[M+K]+ 293.94390 146.9
[M+H-H2O]+ 237.97800 143.3
[M+HCOO]- 299.97894 166.8
[M+CH3COO]- 313.99459 160.5
[M+Na-2H]- 275.95541 151.4
[M]+ 254.98019 162.0
[M]- 254.98129 162.0
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

No patent data available for this compound.