CID 80364763

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

Structural Information

Molecular Formula
C9H7FIN3
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)I)N)F
InChI
InChI=1S/C9H7FIN3/c10-6-1-3-7(4-2-6)14-9(12)8(11)5-13-14/h1-5H,12H2
InChIKey
XEUQDSBXWVYJPV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4-iodopyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.96686 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.97414 144.5
[M+Na]+ 325.95608 147.8
[M-H]- 301.95958 140.7
[M+NH4]+ 321.00068 158.0
[M+K]+ 341.93002 149.7
[M+H-H2O]+ 285.96412 132.4
[M+HCOO]- 347.96506 162.8
[M+CH3COO]- 361.98071 153.6
[M+Na-2H]- 323.94153 137.3
[M]+ 302.96631 139.8
[M]- 302.96741 139.8
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.