CID 54676467

Coumarin, 3-(o-ethylphenyl)-4-hydroxy-

Structural Information

Molecular Formula
C17H14O3
SMILES
CCC1=CC=CC=C1C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C17H14O3/c1-2-11-7-3-4-8-12(11)15-16(18)13-9-5-6-10-14(13)20-17(15)19/h3-10,18H,2H2,1H3
InChIKey
HZLSSFJUTVBUBI-UHFFFAOYSA-N
Compound name
3-(2-ethylphenyl)-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 158.3
[M+Na]+ 289.083518 168.6
[M-H]- 265.087024 166.3
[M+NH4]+ 284.128123 174.3
[M+K]+ 305.057458 164.8
[M+H-H2O]+ 249.091560 150.8
[M+HCOO]- 311.092501 179.8
[M+CH3COO]- 325.108151 171.5
[M+Na-2H]- 287.068966 165.3
[M]+ 266.09375142 161.1
[M]- 266.09484858 161.1
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.