CID 15148

Naftalofos

Structural Information

Molecular Formula

C₁₆H₁₆NO₆P

SMILES

CCOP(=O)(OCC)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3

InChIKey

QNSIFYWAPWSAIJ-UHFFFAOYSA-N

Compound name

(1,3-dioxobenzo[de]isoquinolin-2-yl) diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 6582
Patents: 349.07153 Da
Monoisotopic Mass: 2.4
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]+	350.07881	177.6
[M+Na]+	372.06075	185.3
[M-H]-	348.06425	179.6
[M+NH4]+	367.10535	192.0
[M+K]+	388.03469	183.6
[M+H-H2O]+	332.06879	167.1
[M+HCOO]-	394.06973	199.9
[M+CH3COO]-	408.08538	214.4
[M+Na-2H]-	370.04620	181.7
[M]+	349.07098	185.2
[M]-	349.07208	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe