CID 5272796

4-(4-oxo-4h-chromen-2-yl)benzoic acid

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C16H10O4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)
InChIKey
GDILHIUGUNCNDU-UHFFFAOYSA-N
Compound name
4-(4-oxochromen-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

118
Patents

266.05792 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 155.5
[M+Na]+ 289.04714 165.1
[M-H]- 265.05064 163.4
[M+NH4]+ 284.09174 170.9
[M+K]+ 305.02108 162.1
[M+H-H2O]+ 249.05518 148.0
[M+HCOO]- 311.05612 176.7
[M+CH3COO]- 325.07177 168.5
[M+Na-2H]- 287.03259 162.7
[M]+ 266.05737 157.7
[M]- 266.05847 157.7
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