CID 2741

Chromocarb

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

44
References

2493
Patents

190.02661 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe