CID 403163

5-fluoro-indirubin

Structural Information

Molecular Formula
C16H9FN2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)F)O
InChI
InChI=1S/C16H9FN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,19,21H
InChIKey
FYLWBNLJDXFSNQ-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

22
Patents

280.06482 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07210 160.0
[M+Na]+ 303.05404 173.1
[M-H]- 279.05754 164.4
[M+NH4]+ 298.09864 178.2
[M+K]+ 319.02798 165.9
[M+H-H2O]+ 263.06208 152.4
[M+HCOO]- 325.06302 180.2
[M+CH3COO]- 339.07867 172.8
[M+Na-2H]- 301.03949 163.1
[M]+ 280.06427 161.2
[M]- 280.06537 161.2
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

patents stripe