CID 476577

3-acetoxy-4'-chloroflavone

Structural Information

Molecular Formula
C17H11ClO4
SMILES
CC(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11ClO4/c1-10(19)21-17-15(20)13-4-2-3-5-14(13)22-16(17)11-6-8-12(18)9-7-11/h2-9H,1H3
InChIKey
YFIHYAZMGBMQHH-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-4-oxochromen-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.03458 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04186 166.5
[M+Na]+ 337.02380 177.9
[M-H]- 313.02730 175.8
[M+NH4]+ 332.06840 182.0
[M+K]+ 352.99774 174.1
[M+H-H2O]+ 297.03184 159.4
[M+HCOO]- 359.03278 184.4
[M+CH3COO]- 373.04843 204.3
[M+Na-2H]- 335.00925 172.4
[M]+ 314.03403 173.6
[M]- 314.03513 173.6
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.