CID 701976

3-(2-oxopropoxy)-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C16H12O4
SMILES
CC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C16H12O4/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,9H2,1H3
InChIKey
PYHFONDHNDJEKC-UHFFFAOYSA-N
Compound name
3-(2-oxopropoxy)benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 155.3
[M+Na]+ 291.06277 166.3
[M-H]- 267.06627 162.4
[M+NH4]+ 286.10737 172.7
[M+K]+ 307.03671 163.9
[M+H-H2O]+ 251.07081 148.0
[M+HCOO]- 313.07175 177.7
[M+CH3COO]- 327.08740 198.6
[M+Na-2H]- 289.04822 164.5
[M]+ 268.07300 162.0
[M]- 268.07410 162.0
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.