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 147.6
[M+Na]+ 251.06786 161.6
[M+NH4]+ 246.11246 157.1
[M+K]+ 267.04180 155.0
[M-H]- 227.07136 152.0
[M+Na-2H]- 249.05331 153.1
[M]+ 228.07809 150.9
[M]- 228.07919 150.9
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.