CID 11043392

99911-94-1

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

C1=CC=C(C=C1)OC(=O)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C14H11NO4/c16-13(18-11-7-3-1-4-8-11)15-14(17)19-12-9-5-2-6-10-12/h1-10H,(H,15,16,17)

InChIKey

FOXXAQRNEIMDEC-UHFFFAOYSA-N

Compound name

phenyl N-phenoxycarbonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 257.06882 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]+	258.076096	155.7
[M+Na]+	280.058038	161.3
[M-H]-	256.061544	162.3
[M+NH4]+	275.102643	171.4
[M+K]+	296.031978	159.6
[M+H-H2O]+	240.066080	147.5
[M+HCOO]-	302.067021	180.4
[M+CH3COO]-	316.082671	192.6
[M+Na-2H]-	278.043486	161.7
[M]+	257.06827142	156.7
[M]-	257.06936858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe