CID 3078949

Brn 3635635

Structural Information

Molecular Formula
C23H22Cl2O7
SMILES
CCCOC(=O)COC1=C(C=C2C(=C1)C(=O)C3=CC(=C(C=C32)Cl)OCC(=O)OCCC)Cl
InChI
InChI=1S/C23H22Cl2O7/c1-3-5-29-21(26)11-31-19-9-15-13(7-17(19)24)14-8-18(25)20(10-16(14)23(15)28)32-12-22(27)30-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey
MJQRDCZLZQXAJG-UHFFFAOYSA-N
Compound name
propyl 2-[3,6-dichloro-9-oxo-7-(2-oxo-2-propoxyethoxy)fluoren-2-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.07425 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.08153 207.4
[M+Na]+ 503.06347 217.1
[M-H]- 479.06697 212.7
[M+NH4]+ 498.10807 221.1
[M+K]+ 519.03741 212.2
[M+H-H2O]+ 463.07151 202.3
[M+HCOO]- 525.07245 217.9
[M+CH3COO]- 539.08810 235.1
[M+Na-2H]- 501.04892 205.5
[M]+ 480.07370 222.9
[M]- 480.07480 222.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.