CID 14077819

Haginin d

Structural Information

Molecular Formula
C15H12O4
SMILES
C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H12O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-7,16-18H,8H2
InChIKey
IHOXLUDKLLDPHW-UHFFFAOYSA-N
Compound name
4-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

256.07355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 154.4
[M+Na]+ 279.06277 163.3
[M-H]- 255.06627 159.6
[M+NH4]+ 274.10737 169.3
[M+K]+ 295.03671 159.7
[M+H-H2O]+ 239.07081 147.7
[M+HCOO]- 301.07175 172.2
[M+CH3COO]- 315.08740 166.4
[M+Na-2H]- 277.04822 160.9
[M]+ 256.07300 153.8
[M]- 256.07410 153.8
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