CID 3021293

Brn 5054457

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)N

InChI

InChI=1S/C14H11NO4/c15-14(17)19-12-9-5-4-8-11(12)13(16)18-10-6-2-1-3-7-10/h1-9H,(H2,15,17)

InChIKey

LTQGRTJHOFHMJC-UHFFFAOYSA-N

Compound name

phenyl 2-carbamoyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.06882 Da
Monoisotopic Mass: 2.3
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]+	258.076096	155.6
[M+Na]+	280.058038	162.1
[M-H]-	256.061544	162.0
[M+NH4]+	275.102643	171.3
[M+K]+	296.031978	160.0
[M+H-H2O]+	240.066080	147.7
[M+HCOO]-	302.067021	179.7
[M+CH3COO]-	316.082671	194.6
[M+Na-2H]-	278.043486	159.9
[M]+	257.06827142	156.2
[M]-	257.06936858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe