CID 689030

2-amino-6-chloro-3-formylchromone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

223.00362 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 141.5
[M+Na]+ 245.99284 154.1
[M-H]- 221.99634 147.6
[M+NH4]+ 241.03744 160.7
[M+K]+ 261.96678 150.5
[M+H-H2O]+ 206.00088 136.6
[M+HCOO]- 268.00182 161.5
[M+CH3COO]- 282.01747 189.2
[M+Na-2H]- 243.97829 149.3
[M]+ 223.00307 146.2
[M]- 223.00417 146.2
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

patents stripe