CID 688685

51516-70-2

Structural Information

Molecular Formula
C10H7FN4
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C#N)N)F
InChI
InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
SZEJYPAPBGNEMH-UHFFFAOYSA-N
Compound name
5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

43
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

literature stripe

Patent stripe

patents stripe