CID 3044476

Brn 5580103

Structural Information

Molecular Formula
C17H14O4
SMILES
COC1=CC2=C(C=C1)C(=O)C3(CO2)C(O3)C4=CC=CC=C4
InChI
InChI=1S/C17H14O4/c1-19-12-7-8-13-14(9-12)20-10-17(15(13)18)16(21-17)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKey
RNRRWEVZKSEGBR-UHFFFAOYSA-N
Compound name
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 163.1
[M+Na]+ 305.07842 174.2
[M-H]- 281.08192 175.1
[M+NH4]+ 300.12302 175.0
[M+K]+ 321.05236 173.9
[M+H-H2O]+ 265.08646 155.3
[M+HCOO]- 327.08740 182.1
[M+CH3COO]- 341.10305 175.9
[M+Na-2H]- 303.06387 171.6
[M]+ 282.08865 168.7
[M]- 282.08975 168.7
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.