CID 16228218

2,3-dihydro-1h-benzo[f]chromene-2-carboxylic acid

Structural Information

Molecular Formula
C14H12O3
SMILES
C1C(COC2=C1C3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C14H12O3/c15-14(16)10-7-12-11-4-2-1-3-9(11)5-6-13(12)17-8-10/h1-6,10H,7-8H2,(H,15,16)
InChIKey
WOGFRQYQWSZVJK-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-benzo[f]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 146.2
[M+Na]+ 251.067858 153.6
[M-H]- 227.071364 150.7
[M+NH4]+ 246.112463 164.2
[M+K]+ 267.041798 151.1
[M+H-H2O]+ 211.075900 139.8
[M+HCOO]- 273.076841 163.3
[M+CH3COO]- 287.092491 158.5
[M+Na-2H]- 249.053306 154.0
[M]+ 228.07809142 145.0
[M]- 228.07918858 145.0
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.