CID 71300236

1407522-00-2

Structural Information

Molecular Formula
C15H14FNO3
SMILES
COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2O)F
InChI
InChI=1S/C15H14FNO3/c1-20-15(19)10-6-7-13(12(16)8-10)17-9-11-4-2-3-5-14(11)18/h2-8,17-18H,9H2,1H3
InChIKey
CITOAOCEIHVSEA-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-4-[(2-hydroxyphenyl)methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10304 162.5
[M+Na]+ 298.08498 174.7
[M+NH4]+ 293.12958 169.1
[M+K]+ 314.05892 168.3
[M-H]- 274.08848 164.9
[M+Na-2H]- 296.07043 169.6
[M]+ 275.09521 164.7
[M]- 275.09631 164.7
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.