CID 494412

Nsc623604

Structural Information

Molecular Formula
C9H5F3N4O3
SMILES
C1=CC2=NC(=O)NN(C2=CC1=NC(=O)C(F)(F)F)O
InChI
InChI=1S/C9H5F3N4O3/c10-9(11,12)7(17)13-4-1-2-5-6(3-4)16(19)15-8(18)14-5/h1-3,19H,(H,15,18)
InChIKey
CJCUIZXXZIXNRE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(1-hydroxy-3-oxo-2H-1,2,4-benzotriazin-7-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03137 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03865 153.8
[M+Na]+ 297.02059 165.2
[M-H]- 273.02409 150.3
[M+NH4]+ 292.06519 166.3
[M+K]+ 312.99453 160.3
[M+H-H2O]+ 257.02863 143.6
[M+HCOO]- 319.02957 169.1
[M+CH3COO]- 333.04522 194.5
[M+Na-2H]- 295.00604 161.0
[M]+ 274.03082 150.1
[M]- 274.03192 150.1
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.