CID 16415

2096-66-4

Structural Information

Molecular Formula

C₇H₁₄ClO₆P

SMILES

CC(C(C(=O)OC)Cl)(O)P(=O)(OC)OC

InChI

InChI=1S/C7H14ClO6P/c1-7(10,5(8)6(9)12-2)15(11,13-3)14-4/h5,10H,1-4H3

InChIKey

VMFMWADWPYXFMW-UHFFFAOYSA-N

Compound name

methyl 2-chloro-3-dimethoxyphosphoryl-3-hydroxybutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.02167 Da
Monoisotopic Mass: -0.3
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]+	261.02895	150.4
[M+Na]+	283.01089	158.0
[M-H]-	259.01439	148.9
[M+NH4]+	278.05549	168.2
[M+K]+	298.98483	157.9
[M+H-H2O]+	243.01893	145.5
[M+HCOO]-	305.01987	170.1
[M+CH3COO]-	319.03552	190.4
[M+Na-2H]-	280.99634	153.4
[M]+	260.02112	158.8
[M]-	260.02222	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe