CID 214654

4h-1-benzopyran-4-one, 3-chloro-2-(1h-tetrazol-5-yl)-

Structural Information

Molecular Formula
C10H5ClN4O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=NNN=N3)Cl
InChI
InChI=1S/C10H5ClN4O2/c11-7-8(16)5-3-1-2-4-6(5)17-9(7)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
InChIKey
LPKGQHBYVFYNTI-UHFFFAOYSA-N
Compound name
3-chloro-2-(2H-tetrazol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.0101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01738 148.5
[M+Na]+ 270.99932 166.1
[M+NH4]+ 266.04392 155.8
[M+K]+ 286.97326 161.2
[M-H]- 247.00282 151.6
[M+Na-2H]- 268.98477 156.9
[M]+ 248.00955 152.2
[M]- 248.01065 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.