CID 9973510

Isocromil

Structural Information

Molecular Formula
C19H16O5
SMILES
CC(C)OC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C19H16O5/c1-11(2)23-16-6-4-3-5-13(16)18-10-15(20)14-9-12(19(21)22)7-8-17(14)24-18/h3-11H,1-2H3,(H,21,22)
InChIKey
YLQMFQKRHQCFBI-UHFFFAOYSA-N
Compound name
4-oxo-2-(2-propan-2-yloxyphenyl)chromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

324.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.5
[M+Na]+ 347.08898 181.0
[M-H]- 323.09248 180.1
[M+NH4]+ 342.13358 185.5
[M+K]+ 363.06292 178.8
[M+H-H2O]+ 307.09702 164.3
[M+HCOO]- 369.09796 191.7
[M+CH3COO]- 383.11361 208.1
[M+Na-2H]- 345.07443 176.2
[M]+ 324.09921 176.9
[M]- 324.10031 176.9
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

No patent data available for this compound.