CID 127394

Isofenphos-methyl

Structural Information

Molecular Formula

C₁₄H₂₂NO₄PS

SMILES

CC(C)NP(=S)(OC)OC1=CC=CC=C1C(=O)OC(C)C

InChI

InChI=1S/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21)

InChIKey

IXTOWLKEARFCCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2328
Patents: 331.1007 Da
Monoisotopic Mass: 3.8
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]+	332.10798	175.5
[M+Na]+	354.08992	179.6
[M-H]-	330.09342	177.5
[M+NH4]+	349.13452	189.9
[M+K]+	370.06386	178.4
[M+H-H2O]+	314.09796	166.1
[M+HCOO]-	376.09890	196.2
[M+CH3COO]-	390.11455	211.7
[M+Na-2H]-	352.07537	172.4
[M]+	331.10015	181.9
[M]-	331.10125	181.9

Literature stripe

literature stripe

Patent stripe

patents stripe