CID 217217

38322-61-1

Structural Information

Molecular Formula
C10H5N5O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=C(O2)C3=NNN=N3
InChI
InChI=1S/C10H5N5O4/c16-7-4-9(10-11-13-14-12-10)19-8-2-1-5(15(17)18)3-6(7)8/h1-4H,(H,11,12,13,14)
InChIKey
IEZXNXOBTJVBJV-UHFFFAOYSA-N
Compound name
6-nitro-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

259.03415 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04143 149.7
[M+Na]+ 282.02337 160.6
[M-H]- 258.02687 153.4
[M+NH4]+ 277.06797 160.8
[M+K]+ 297.99731 152.9
[M+H-H2O]+ 242.03141 144.8
[M+HCOO]- 304.03235 171.0
[M+CH3COO]- 318.04800 184.6
[M+Na-2H]- 280.00882 161.3
[M]+ 259.03360 150.6
[M]- 259.03470 150.6
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

patents stripe