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

literature stripe

Patent stripe

patents stripe