CID 853114

314262-31-2

Structural Information

Molecular Formula
C17H11ClO4
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11ClO4/c18-13-5-1-11(2-6-13)15(19)10-21-14-7-3-12-4-8-17(20)22-16(12)9-14/h1-9H,10H2
InChIKey
ANNQNLLWOKYDED-UHFFFAOYSA-N
Compound name
7-[2-(4-chlorophenyl)-2-oxoethoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.03458 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04186 166.5
[M+Na]+ 337.02380 176.9
[M-H]- 313.02730 175.3
[M+NH4]+ 332.06840 181.6
[M+K]+ 352.99774 172.9
[M+H-H2O]+ 297.03184 159.1
[M+HCOO]- 359.03278 184.3
[M+CH3COO]- 373.04843 203.6
[M+Na-2H]- 335.00925 173.1
[M]+ 314.03403 173.2
[M]- 314.03513 173.2
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.