CID 3068343

83359-31-3

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C3O1

InChI

InChI=1S/C16H14O3/c1-2-18-16(17)15-13-9-4-3-7-11(13)12-8-5-6-10-14(12)19-15/h3-10,15H,2H2,1H3

InChIKey

HGUUQDBSPZNMDJ-UHFFFAOYSA-N

Compound name

ethyl 6H-benzo[c]chromene-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.0943 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.10158	154.7
[M+Na]+	277.08352	162.7
[M-H]-	253.08702	160.7
[M+NH4]+	272.12812	172.5
[M+K]+	293.05746	160.5
[M+H-H2O]+	237.09156	147.5
[M+HCOO]-	299.09250	174.1
[M+CH3COO]-	313.10815	167.3
[M+Na-2H]-	275.06897	162.7
[M]+	254.09375	157.3
[M]-	254.09485	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe