CID 214640

4h-1-benzopyran-2-carboxamide, 6-chloro-4-oxo-

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

15
Patents

223.00362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 141.5
[M+Na]+ 245.99284 152.9
[M-H]- 221.99634 147.3
[M+NH4]+ 241.03744 160.4
[M+K]+ 261.96678 149.8
[M+H-H2O]+ 206.00088 136.6
[M+HCOO]- 268.00182 160.6
[M+CH3COO]- 282.01747 188.9
[M+Na-2H]- 243.97829 148.8
[M]+ 223.00307 145.2
[M]- 223.00417 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