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 185.1
[M+Na]+ 393.13085 192.1
[M-H]- 369.13435 189.3
[M+NH4]+ 388.17545 197.5
[M+K]+ 409.10479 187.6
[M+H-H2O]+ 353.13889 178.9
[M+HCOO]- 415.13983 197.0
[M+CH3COO]- 429.15548 211.6
[M+Na-2H]- 391.11630 184.7
[M]+ 370.14108 184.9
[M]- 370.14218 184.9
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.