CID 15959242

Benzotriazole ester, 10

Structural Information

Molecular Formula
C15H9FN4O2
SMILES
C1=CC=C2C(=C1)N=NN2OC(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C15H9FN4O2/c16-10-5-6-11-9(7-10)8-13(17-11)15(21)22-20-14-4-2-1-3-12(14)18-19-20/h1-8,17H
InChIKey
PAEPADFRKKOUIH-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 5-fluoro-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.07095 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07823 162.9
[M+Na]+ 319.06017 175.6
[M-H]- 295.06367 165.8
[M+NH4]+ 314.10477 177.7
[M+K]+ 335.03411 169.4
[M+H-H2O]+ 279.06821 153.0
[M+HCOO]- 341.06915 182.5
[M+CH3COO]- 355.08480 174.8
[M+Na-2H]- 317.04562 167.8
[M]+ 296.07040 166.3
[M]- 296.07150 166.3
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

No patent data available for this compound.