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 148.8
[M+Na]+ 282.02337 164.8
[M+NH4]+ 277.06797 154.6
[M+K]+ 297.99731 164.6
[M-H]- 258.02687 152.3
[M+Na-2H]- 280.00882 156.0
[M]+ 259.03360 151.8
[M]- 259.03470 151.8
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