CID 16077505

Chembl232426

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CC1=C(C(=O)C2=C(C1=O)C(=CN2C3=CC=C(C=C3)F)C(=O)OC)C
InChI
InChI=1S/C18H14FNO4/c1-9-10(2)17(22)15-14(16(9)21)13(18(23)24-3)8-20(15)12-6-4-11(19)5-7-12/h4-8H,1-3H3
InChIKey
WLQXABVWEMRNFX-UHFFFAOYSA-N
Compound name
methyl 1-(4-fluorophenyl)-5,6-dimethyl-4,7-dioxoindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.0907 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 171.7
[M+Na]+ 350.07992 183.4
[M-H]- 326.08342 178.3
[M+NH4]+ 345.12452 188.1
[M+K]+ 366.05386 179.0
[M+H-H2O]+ 310.08796 163.8
[M+HCOO]- 372.08890 191.7
[M+CH3COO]- 386.10455 211.8
[M+Na-2H]- 348.06537 170.7
[M]+ 327.09015 175.5
[M]- 327.09125 175.5
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.