CID 214640

6-chloro-4-oxo-4h-chromene-2-carboxamide

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)N
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)7(13)4-9(15-8)10(12)14/h1-4H,(H2,12,14)
InChIKey
CKWNAIFHYXTWGG-UHFFFAOYSA-N
Compound name
6-chloro-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

223.00362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.010896 141.5
[M+Na]+ 245.992838 152.9
[M-H]- 221.996344 147.3
[M+NH4]+ 241.037443 160.4
[M+K]+ 261.966778 149.8
[M+H-H2O]+ 206.000880 136.6
[M+HCOO]- 268.001821 160.6
[M+CH3COO]- 282.017471 188.9
[M+Na-2H]- 243.978286 148.8
[M]+ 223.00307142 145.2
[M]- 223.00416858 145.2
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