CID 15955880

(2z)-2-[6-fluoro-9-[(4-fluorophenyl)methyl]-4-oxo-1,2-dihydrocarbazol-3-ylidene]-2-hydroxy-acetic acid

Structural Information

Molecular Formula
C21H15F2NO4
SMILES
C1CC2=C(C3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)F)C(=C1C(=O)C(=O)O)O
InChI
InChI=1S/C21H15F2NO4/c22-12-3-1-11(2-4-12)10-24-16-7-5-13(23)9-15(16)18-17(24)8-6-14(19(18)25)20(26)21(27)28/h1-5,7,9,25H,6,8,10H2,(H,27,28)
InChIKey
HJXOSQOQOZABDH-UHFFFAOYSA-N
Compound name
2-[6-fluoro-9-[(4-fluorophenyl)methyl]-4-hydroxy-1,2-dihydrocarbazol-3-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.09692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10420 186.6
[M+Na]+ 406.08614 196.5
[M-H]- 382.08964 189.8
[M+NH4]+ 401.13074 199.5
[M+K]+ 422.06008 189.9
[M+H-H2O]+ 366.09418 177.2
[M+HCOO]- 428.09512 201.2
[M+CH3COO]- 442.11077 196.1
[M+Na-2H]- 404.07159 185.8
[M]+ 383.09637 186.7
[M]- 383.09747 186.7
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.