CID 87987101

Bcipp

Structural Information

Molecular Formula

C₆H₁₃Cl₂O₄P

SMILES

CC(COP(=O)(O)OCC(C)Cl)Cl

InChI

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

InChIKey

UXEXPVAWQLGFAP-UHFFFAOYSA-N

Compound name

bis(2-chloropropyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 13
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]+	251.00014	146.8
[M+Na]+	272.98208	154.8
[M-H]-	248.98558	144.8
[M+NH4]+	268.02668	165.5
[M+K]+	288.95602	152.1
[M+H-H2O]+	232.99012	142.7
[M+HCOO]-	294.99106	162.7
[M+CH3COO]-	309.00671	189.0
[M+Na-2H]-	270.96753	148.0
[M]+	249.99231	154.1
[M]-	249.99341	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe