CID 484712

3-p-fluorophenyl-pyrazolo[5,1-c][1,2,4] benzotriazine

Structural Information

Molecular Formula
C15H9FN4O
SMILES
C1=CC=C2C(=C1)N3C(=C(C=N3)C4=CC=C(C=C4)F)N=[N+]2[O-]
InChI
InChI=1S/C15H9FN4O/c16-11-7-5-10(6-8-11)12-9-17-19-13-3-1-2-4-14(13)20(21)18-15(12)19/h1-9H
InChIKey
PHCMESUZZZBVLL-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07605 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08333 161.3
[M+Na]+ 303.06527 173.2
[M-H]- 279.06877 163.4
[M+NH4]+ 298.10987 174.6
[M+K]+ 319.03921 161.3
[M+H-H2O]+ 263.07331 154.6
[M+HCOO]- 325.07425 179.4
[M+CH3COO]- 339.08990 191.2
[M+Na-2H]- 301.05072 171.0
[M]+ 280.07550 160.2
[M]- 280.07660 160.2
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.