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]+ 260.041426 149.7
[M+Na]+ 282.023368 160.6
[M-H]- 258.026874 153.4
[M+NH4]+ 277.067973 160.8
[M+K]+ 297.997308 152.9
[M+H-H2O]+ 242.031410 144.8
[M+HCOO]- 304.032351 171.0
[M+CH3COO]- 318.048001 184.6
[M+Na-2H]- 280.008816 161.3
[M]+ 259.03360142 150.6
[M]- 259.03469858 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