CID 214645

33544-21-7

Structural Information

Molecular Formula
C10H5BrN4O2
SMILES
C1=CC2=C(C=C1Br)C(=O)C=C(O2)C3=NNN=N3
InChI
InChI=1S/C10H5BrN4O2/c11-5-1-2-8-6(3-5)7(16)4-9(17-8)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
InChIKey
FHPXSLWCBTUXQN-UHFFFAOYSA-N
Compound name
6-bromo-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9596 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96688 156.9
[M+Na]+ 314.94882 163.4
[M+NH4]+ 309.99342 160.3
[M+K]+ 330.92276 164.9
[M-H]- 290.95232 158.1
[M+Na-2H]- 312.93427 161.1
[M]+ 291.95905 157.1
[M]- 291.96015 157.1
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.