CID 3034435

Methacrifos

Structural Information

Molecular Formula

C₇H₁₃O₅PS

SMILES

C/C(=C\OP(=S)(OC)OC)/C(=O)OC

InChI

InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+

InChIKey

NTAHCMPOMKHKEU-AATRIKPKSA-N

Compound name

methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 10681
Patents: 240.02213 Da
Monoisotopic Mass: 1.9
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]+	241.02941	151.7
[M+Na]+	263.01135	158.3
[M+NH4]+	258.05595	156.5
[M+K]+	278.98529	154.5
[M-H]-	239.01485	147.5
[M+Na-2H]-	260.99680	151.4
[M]+	240.02158	151.4
[M]-	240.02268	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe