CID 217199

38243-73-1

Structural Information

Molecular Formula
C11H7BrN4O2
SMILES
CC1=CC2=C(C(=C1)Br)OC(=CC2=O)C3=NNN=N3
InChI
InChI=1S/C11H7BrN4O2/c1-5-2-6-8(17)4-9(11-13-15-16-14-11)18-10(6)7(12)3-5/h2-4H,1H3,(H,13,14,15,16)
InChIKey
ZZKLEPZCFSNQQU-UHFFFAOYSA-N
Compound name
8-bromo-6-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.97525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.98253 155.6
[M+Na]+ 328.96447 171.7
[M-H]- 304.96797 161.7
[M+NH4]+ 324.00907 170.5
[M+K]+ 344.93841 160.0
[M+H-H2O]+ 288.97251 154.0
[M+HCOO]- 350.97345 173.6
[M+CH3COO]- 364.98910 170.2
[M+Na-2H]- 326.94992 164.2
[M]+ 305.97470 177.6
[M]- 305.97580 177.6
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.