CID 8439139

Schembl12472363

Structural Information

Molecular Formula

C₁₄H₁₂FNO₂

SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)F)O

InChI

InChI=1S/C14H12FNO2/c15-11-7-5-10(6-8-11)9-16-14(18)12-3-1-2-4-13(12)17/h1-8,17H,9H2,(H,16,18)

InChIKey

WADVWWCQYOTSLI-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 245.0852 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.09248	152.6
[M+Na]+	268.07442	159.8
[M-H]-	244.07792	156.9
[M+NH4]+	263.11902	168.8
[M+K]+	284.04836	155.5
[M+H-H2O]+	228.08246	144.4
[M+HCOO]-	290.08340	175.1
[M+CH3COO]-	304.09905	192.8
[M+Na-2H]-	266.05987	157.3
[M]+	245.08465	150.2
[M]-	245.08575	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe