CID 6453244

55743-21-0

Structural Information

Molecular Formula
C16H14O4
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3
InChI
InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKey
QSRIZZQWNHKERT-AWEZNQCLSA-N
Compound name
(2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

270.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 158.9
[M+Na]+ 293.07842 167.8
[M-H]- 269.08192 165.3
[M+NH4]+ 288.12302 174.0
[M+K]+ 309.05236 164.5
[M+H-H2O]+ 253.08646 151.9
[M+HCOO]- 315.08740 176.5
[M+CH3COO]- 329.10305 195.3
[M+Na-2H]- 291.06387 163.5
[M]+ 270.08865 158.6
[M]- 270.08975 158.6
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

patents stripe