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

31
Patents

202.06548 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07276 140.8
[M+Na]+ 225.05470 152.3
[M-H]- 201.05820 142.3
[M+NH4]+ 220.09930 156.4
[M+K]+ 241.02864 147.4
[M+H-H2O]+ 185.06274 125.0
[M+HCOO]- 247.06368 159.9
[M+CH3COO]- 261.07933 152.1
[M+Na-2H]- 223.04015 144.5
[M]+ 202.06493 133.3
[M]- 202.06603 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