CID 66713127

1235865-75-4

Structural Information

Molecular Formula
C15H11FN2O3
SMILES
COC(=O)C1=C(C=C(C=C1)F)OC2=CN=C3C(=C2)C=CN3
InChI
InChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
InChIKey
WOXIJNIAUMZYEL-UHFFFAOYSA-N
Compound name
methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

286.07538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08266 161.2
[M+Na]+ 309.06460 171.8
[M-H]- 285.06810 164.7
[M+NH4]+ 304.10920 176.4
[M+K]+ 325.03854 166.9
[M+H-H2O]+ 269.07264 151.9
[M+HCOO]- 331.07358 181.8
[M+CH3COO]- 345.08923 173.2
[M+Na-2H]- 307.05005 165.7
[M]+ 286.07483 163.8
[M]- 286.07593 163.8
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

patents stripe