CID 15698847

5-amino-1-(3-fluorophenyl)-1h-pyrazole-4-carbonitrile

Structural Information

Molecular Formula
C10H7FN4
SMILES
C1=CC(=CC(=C1)F)N2C(=C(C=N2)C#N)N
InChI
InChI=1S/C10H7FN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
QMABEDHYXLYKEL-UHFFFAOYSA-N
Compound name
5-amino-1-(3-fluorophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

202.06548 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.072756 140.8
[M+Na]+ 225.054698 152.3
[M-H]- 201.058204 142.3
[M+NH4]+ 220.099303 156.4
[M+K]+ 241.028638 147.4
[M+H-H2O]+ 185.062740 125.0
[M+HCOO]- 247.063681 159.9
[M+CH3COO]- 261.079331 152.1
[M+Na-2H]- 223.040146 144.5
[M]+ 202.06493142 133.3
[M]- 202.06602858 133.3
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