CID 16228218

1h,2h,3h-naphtho[2,1-b]pyran-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]+ 229.08592 146.2
[M+Na]+ 251.06786 153.6
[M-H]- 227.07136 150.7
[M+NH4]+ 246.11246 164.2
[M+K]+ 267.04180 151.1
[M+H-H2O]+ 211.07590 139.8
[M+HCOO]- 273.07684 163.3
[M+CH3COO]- 287.09249 158.5
[M+Na-2H]- 249.05331 154.0
[M]+ 228.07809 145.0
[M]- 228.07919 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.