CID 605378

27393-46-0

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC=C2C(=C1)C(=CC(=O)O2)C(=O)O
InChI
InChI=1S/C10H6O4/c11-9-5-7(10(12)13)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)
InChIKey
DORZTUIRBJRLFD-UHFFFAOYSA-N
Compound name
2-oxochromene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

190.02661 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.033886 132.8
[M+Na]+ 213.015828 142.8
[M-H]- 189.019334 137.6
[M+NH4]+ 208.060433 151.6
[M+K]+ 228.989768 141.6
[M+H-H2O]+ 173.023870 127.2
[M+HCOO]- 235.024811 154.8
[M+CH3COO]- 249.040461 179.1
[M+Na-2H]- 211.001276 141.7
[M]+ 190.02606142 135.2
[M]- 190.02715858 135.2
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