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

10
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

literature stripe

Patent stripe

patents stripe