CID 214652

Brn 0822893

Structural Information

Molecular Formula
C10H4Br2N4O2
SMILES
C1=C(C=C(C2=C1C(=O)C=C(O2)C3=NNN=N3)Br)Br
InChI
InChI=1S/C10H4Br2N4O2/c11-4-1-5-7(17)3-8(10-13-15-16-14-10)18-9(5)6(12)2-4/h1-3H,(H,13,14,15,16)
InChIKey
YXMJERSBVSUMCI-UHFFFAOYSA-N
Compound name
6,8-dibromo-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.8701 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.87738 146.2
[M+Na]+ 392.85932 160.2
[M-H]- 368.86282 152.9
[M+NH4]+ 387.90392 160.1
[M+K]+ 408.83326 145.9
[M+H-H2O]+ 352.86736 154.1
[M+HCOO]- 414.86830 160.2
[M+CH3COO]- 428.88395 160.3
[M+Na-2H]- 390.84477 155.2
[M]+ 369.86955 182.9
[M]- 369.87065 182.9
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

patents stripe