CID 101640759

789440-10-4

Structural Information

Molecular Formula

C₆H₁₃Cl₂O₄P

SMILES

CC(CCl)OP(=O)(O)OC(C)CCl

InChI

InChI=1S/C6H13Cl2O4P/c1-5(3-7)11-13(9,10)12-6(2)4-8/h5-6H,3-4H2,1-2H3,(H,9,10)

InChIKey

ORAAZVDXWSKZHK-UHFFFAOYSA-N

Compound name

bis(1-chloropropan-2-yl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 149
Patents: 249.99286 Da
Monoisotopic Mass: 1.0
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]+	251.000136	146.8
[M+Na]+	272.982078	154.8
[M-H]-	248.985584	144.8
[M+NH4]+	268.026683	165.5
[M+K]+	288.956018	152.1
[M+H-H2O]+	232.990120	142.7
[M+HCOO]-	294.991061	162.7
[M+CH3COO]-	309.006711	189.0
[M+Na-2H]-	270.967526	148.0
[M]+	249.99231142	154.1
[M]-	249.99340858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe