CID 135908257

(3e)-5-fluoro-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-1h-indole-2,3-dione 3-oxime

Structural Information

Molecular Formula
C17H12F2N2O4
SMILES
C1C2=C(C(=CC(=C2)F)CN3C4=C(C=C(C=C4)F)C(=C3O)N=O)OCO1
InChI
InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,22H,6-8H2
InChIKey
VJBNQUYFELQGNY-UHFFFAOYSA-N
Compound name
5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitrosoindol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

346.0765 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08378 176.0
[M+Na]+ 369.06572 187.8
[M-H]- 345.06922 183.3
[M+NH4]+ 364.11032 189.2
[M+K]+ 385.03966 184.8
[M+H-H2O]+ 329.07376 166.1
[M+HCOO]- 391.07470 194.6
[M+CH3COO]- 405.09035 187.9
[M+Na-2H]- 367.05117 180.7
[M]+ 346.07595 179.5
[M]- 346.07705 179.5
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

patents stripe