CID 90479

Isocarbophos

Structural Information

Molecular Formula

C₁₁H₁₆NO₄PS

SMILES

CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC

InChI

InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)

InChIKey

YFVOXLJXJBQDEF-UHFFFAOYSA-N

Compound name

propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 53
References: 10039
Patents: 289.05377 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]+	290.06105	163.0
[M+Na]+	312.04299	170.9
[M+NH4]+	307.08759	168.6
[M+K]+	328.01693	166.2
[M-H]-	288.04649	162.5
[M+Na-2H]-	310.02844	165.8
[M]+	289.05322	164.0
[M]-	289.05432	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe