CID 5270553

2h-1-benzopyran-6-carboxylic acid, 3,4-dihydro-4-oxo-2-phenyl-

Structural Information

Molecular Formula
C16H12O4
SMILES
C1C(OC2=C(C1=O)C=C(C=C2)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O4/c17-13-9-15(10-4-2-1-3-5-10)20-14-7-6-11(16(18)19)8-12(13)14/h1-8,15H,9H2,(H,18,19)
InChIKey
XQJQANJFMQZQGF-UHFFFAOYSA-N
Compound name
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

268.07355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.1
[M+Na]+ 291.06277 164.6
[M-H]- 267.06627 164.1
[M+NH4]+ 286.10737 172.2
[M+K]+ 307.03671 161.9
[M+H-H2O]+ 251.07081 149.6
[M+HCOO]- 313.07175 175.4
[M+CH3COO]- 327.08740 195.3
[M+Na-2H]- 289.04822 162.4
[M]+ 268.07300 156.4
[M]- 268.07410 156.4
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.