CID 484740

3-o-fluorophenyl-8-chloropyrazolo[5,1-c][1,2,4] benzotriazine 5-oxide

Structural Information

Molecular Formula
C15H8ClFN4O
SMILES
C1=CC(=CC=C1C2=C3N=[N+](C4=C(N3N=C2)C=C(C=C4)Cl)[O-])F
InChI
InChI=1S/C15H8ClFN4O/c16-10-3-6-13-14(7-10)20-15(19-21(13)22)12(8-18-20)9-1-4-11(17)5-2-9/h1-8H
InChIKey
CDSVHWVXERQPBR-UHFFFAOYSA-N
Compound name
8-chloro-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

314.03708 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04436 168.7
[M+Na]+ 337.02630 181.7
[M-H]- 313.02980 170.4
[M+NH4]+ 332.07090 181.5
[M+K]+ 353.00024 168.9
[M+H-H2O]+ 297.03434 162.2
[M+HCOO]- 359.03528 181.9
[M+CH3COO]- 373.05093 195.9
[M+Na-2H]- 335.01175 176.8
[M]+ 314.03653 169.9
[M]- 314.03763 169.9
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.