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

36
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

literature stripe

Patent stripe

patents stripe