CID 16750123

7-[(3-chlorobenzyl)oxy]-2-oxo-2h-chromene-4-carbaldehyde

Structural Information

Molecular Formula
C17H11ClO4
SMILES
C1=CC(=CC(=C1)Cl)COC2=CC3=C(C=C2)C(=CC(=O)O3)C=O
InChI
InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2
InChIKey
ZOCADHRNWNJARU-UHFFFAOYSA-N
Compound name
7-[(3-chlorophenyl)methoxy]-2-oxochromene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.03458 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04186 166.8
[M+Na]+ 337.02380 178.4
[M-H]- 313.02730 175.9
[M+NH4]+ 332.06840 182.2
[M+K]+ 352.99774 174.0
[M+H-H2O]+ 297.03184 159.4
[M+HCOO]- 359.03278 185.5
[M+CH3COO]- 373.04843 204.0
[M+Na-2H]- 335.00925 173.7
[M]+ 314.03403 174.4
[M]- 314.03513 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.