CID 10220719

2-dehydro-o-desmethylangolensin

Structural Information

Molecular Formula
C15H12O4
SMILES
C=C(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H12O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-8,16-18H,1H2
InChIKey
MPNKZWIUITZJCR-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

256.07355 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.3
[M+Na]+ 279.06277 162.6
[M-H]- 255.06627 158.6
[M+NH4]+ 274.10737 170.0
[M+K]+ 295.03671 158.3
[M+H-H2O]+ 239.07081 148.8
[M+HCOO]- 301.07175 174.0
[M+CH3COO]- 315.08740 189.7
[M+Na-2H]- 277.04822 156.9
[M]+ 256.07300 153.5
[M]- 256.07410 153.5
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