CID 135398503

5'-fluoroindirubinoxime

Structural Information

Molecular Formula
C16H10FN3O2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)F)O)N=O
InChI
InChI=1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
InChIKey
LAPHNLUPQPQSKF-UHFFFAOYSA-N
Compound name
5-fluoro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

31
Patents

295.0757 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08298 161.6
[M+Na]+ 318.06492 174.7
[M-H]- 294.06842 166.4
[M+NH4]+ 313.10952 178.9
[M+K]+ 334.03886 167.4
[M+H-H2O]+ 278.07296 153.7
[M+HCOO]- 340.07390 184.2
[M+CH3COO]- 354.08955 174.3
[M+Na-2H]- 316.05037 166.6
[M]+ 295.07515 163.6
[M]- 295.07625 163.6
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.