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 148.9
[M+Na]+ 270.99932 162.9
[M-H]- 247.00282 151.8
[M+NH4]+ 266.04392 162.5
[M+K]+ 286.97326 157.4
[M+H-H2O]+ 231.00736 139.9
[M+HCOO]- 293.00830 164.4
[M+CH3COO]- 307.02395 161.8
[M+Na-2H]- 268.98477 157.1
[M]+ 248.00955 153.4
[M]- 248.01065 153.4
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

patents stripe