CID 217200

38243-76-4

Structural Information

Molecular Formula
C11H7N5O4
SMILES
CC1=CC(=CC2=C1OC(=CC2=O)C3=NNN=N3)[N+](=O)[O-]
InChI
InChI=1S/C11H7N5O4/c1-5-2-6(16(18)19)3-7-8(17)4-9(20-10(5)7)11-12-14-15-13-11/h2-4H,1H3,(H,12,13,14,15)
InChIKey
MOCDFTDGVGUZIT-UHFFFAOYSA-N
Compound name
8-methyl-6-nitro-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0498 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05708 154.0
[M+Na]+ 296.03902 170.2
[M+NH4]+ 291.08362 159.6
[M+K]+ 312.01296 169.9
[M-H]- 272.04252 157.6
[M+Na-2H]- 294.02447 160.7
[M]+ 273.04925 157.1
[M]- 273.05035 157.1
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.