CID 168354698

8-o-glucuronide-fluoranthene

Structural Information

Molecular Formula
C21H22O6
SMILES
C=CC1=C2CC=CC=C2C3=C1C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C21H22O6/c1-2-12-13-5-3-4-6-14(13)15-8-7-11(9-16(12)15)26-21-20(25)19(24)18(23)17(10-22)27-21/h2-4,6-9,17-25H,1,5,10H2
InChIKey
PTHRKCYODYPSBW-UHFFFAOYSA-N
Compound name
2-[(9-ethenyl-8H-fluoren-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14891 186.4
[M+Na]+ 393.13085 197.8
[M+NH4]+ 388.17545 192.7
[M+K]+ 409.10479 194.5
[M-H]- 369.13435 189.7
[M+Na-2H]- 391.11630 187.2
[M]+ 370.14108 188.7
[M]- 370.14218 188.7
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.