CID 10431792

Daf-fm

Structural Information

Molecular Formula
C21H14F2N2O5
SMILES
CNC1=C(C2=C(C=C1)C3(C4=CC(=C(C=C4OC5=CC(=C(C=C53)F)O)O)F)OC2=O)N
InChI
InChI=1S/C21H14F2N2O5/c1-25-13-3-2-8-18(19(13)24)20(28)30-21(8)9-4-11(22)14(26)6-16(9)29-17-7-15(27)12(23)5-10(17)21/h2-7,25-27H,24H2,1H3
InChIKey
DIJCILWNOLHJCG-UHFFFAOYSA-N
Compound name
7-amino-2',7'-difluoro-3',6'-dihydroxy-6-(methylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

913
Patents

412.08707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.09435 194.0
[M+Na]+ 435.07629 206.5
[M-H]- 411.07979 200.1
[M+NH4]+ 430.12089 207.7
[M+K]+ 451.05023 202.2
[M+H-H2O]+ 395.08433 185.2
[M+HCOO]- 457.08527 207.7
[M+CH3COO]- 471.10092 204.0
[M+Na-2H]- 433.06174 197.5
[M]+ 412.08652 194.8
[M]- 412.08762 194.8
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