CID 11840989

4-(4-fluoro-phenylazo)-5-imino-5h-pyrazol-3-ylamine

Structural Information

Molecular Formula
C9H7FN6
SMILES
C1=CC(=CC=C1NN=C2C(=N)N=NC2=N)F
InChI
InChI=1S/C9H7FN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4,11-13H
InChIKey
XCDRRKZJZOYQRS-UHFFFAOYSA-N
Compound name
N-[(3,5-diiminopyrazol-4-ylidene)amino]-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

218.07162 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07890 141.5
[M+Na]+ 241.06084 150.9
[M-H]- 217.06434 147.0
[M+NH4]+ 236.10544 158.6
[M+K]+ 257.03478 146.5
[M+H-H2O]+ 201.06888 131.5
[M+HCOO]- 263.06982 170.8
[M+CH3COO]- 277.08547 197.9
[M+Na-2H]- 239.04629 149.4
[M]+ 218.07107 137.7
[M]- 218.07217 137.7
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