CID 11536318

Strobochrysin

Structural Information

Molecular Formula
C16H12O4
SMILES
CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3
InChIKey
XRJWLVUOUWIPHW-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

268.07355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.2
[M+Na]+ 291.06277 168.2
[M-H]- 267.06627 164.4
[M+NH4]+ 286.10737 172.6
[M+K]+ 307.03671 164.6
[M+H-H2O]+ 251.07081 150.1
[M+HCOO]- 313.07175 177.7
[M+CH3COO]- 327.08740 170.3
[M+Na-2H]- 289.04822 163.7
[M]+ 268.07300 159.8
[M]- 268.07410 159.8
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.