CID 32872

Isofenphos

Structural Information

Molecular Formula

C₁₅H₂₄NO₄PS

SMILES

CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C

InChI

InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)

InChIKey

HOQADATXFBOEGG-UHFFFAOYSA-N

Compound name

propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 51
References: 33865
Patents: 345.11636 Da
Monoisotopic Mass: 4.1
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]+	346.123636	180.1
[M+Na]+	368.105578	183.8
[M-H]-	344.109084	181.9
[M+NH4]+	363.150183	193.9
[M+K]+	384.079518	182.4
[M+H-H2O]+	328.113620	170.5
[M+HCOO]-	390.114561	200.5
[M+CH3COO]-	404.130211	214.6
[M+Na-2H]-	366.091026	176.5
[M]+	345.11581142	186.9
[M]-	345.11690858	186.9

Literature stripe

literature stripe

Patent stripe

patents stripe