CID 364110

Nsc629779

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H14O5/c1-9-7-13-14(20)8-15(11-3-5-12(19)6-4-11)23-17(13)16(10(9)2)18(21)22/h3-8,19H,1-2H3,(H,21,22)
InChIKey
WGSGXJHQSGQOFW-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.1
[M+Na]+ 333.07336 178.8
[M-H]- 309.07686 175.4
[M+NH4]+ 328.11796 181.8
[M+K]+ 349.04730 175.7
[M+H-H2O]+ 293.08140 160.7
[M+HCOO]- 355.08234 187.2
[M+CH3COO]- 369.09799 204.6
[M+Na-2H]- 331.05881 171.8
[M]+ 310.08359 171.9
[M]- 310.08469 171.9
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.