CID 71300236

Methyl 3-fluoro-4-{[(2-hydroxyphenyl)methyl]amino}benzoate

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 160.2
[M+Na]+ 298.08498 167.8
[M-H]- 274.08848 164.8
[M+NH4]+ 293.12958 175.5
[M+K]+ 314.05892 164.0
[M+H-H2O]+ 258.09302 151.7
[M+HCOO]- 320.09396 182.6
[M+CH3COO]- 334.10961 199.2
[M+Na-2H]- 296.07043 163.7
[M]+ 275.09521 160.1
[M]- 275.09631 160.1
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.