CID 168354696

Lomjfdcgkycenm-uhfffaoysa-n

Structural Information

Molecular Formula
C22H22O7
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC(C(C4=CC=C3)OC5C(C(C(C(O5)CO)O)O)O)O
InChI
InChI=1S/C22H22O7/c23-9-16-18(25)19(26)20(27)22(28-16)29-21-13-7-3-6-12-10-4-1-2-5-11(10)14(17(12)13)8-15(21)24/h1-8,15-16,18-27H,9H2
InChIKey
LOMJFDCGKYCENM-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-2,3-dihydrofluoranthen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13657 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 189.0
[M+Na]+ 421.12579 195.3
[M-H]- 397.12929 192.2
[M+NH4]+ 416.17039 200.6
[M+K]+ 437.09973 191.6
[M+H-H2O]+ 381.13383 182.6
[M+HCOO]- 443.13477 196.9
[M+CH3COO]- 457.15042 196.9
[M+Na-2H]- 419.11124 189.7
[M]+ 398.13602 189.3
[M]- 398.13712 189.3
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

No patent data available for this compound.