CID 392392

Nsc692756

Structural Information

Molecular Formula

C₁₄H₁₂BrNO₃

SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)C(=O)NO

InChI

InChI=1S/C14H12BrNO3/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(17)16-18/h1-8,18H,9H2,(H,16,17)

InChIKey

MGEKKIYVXAADOR-UHFFFAOYSA-N

Compound name

3-[(4-bromophenyl)methoxy]-N-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 321.00006 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]+	322.00734	163.1
[M+Na]+	343.98928	172.5
[M-H]-	319.99278	170.8
[M+NH4]+	339.03388	179.8
[M+K]+	359.96322	160.8
[M+H-H2O]+	303.99732	161.3
[M+HCOO]-	365.99826	184.0
[M+CH3COO]-	380.01391	201.4
[M+Na-2H]-	341.97473	169.1
[M]+	320.99951	181.6
[M]-	321.00061	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe