CID 26176

13674-84-5

Structural Information

Molecular Formula

C₉H₁₈Cl₃O₄P

SMILES

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

InChI

InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3

InChIKey

KVMPUXDNESXNOH-UHFFFAOYSA-N

Compound name

tris(1-chloropropan-2-yl) phosphate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 56
References: 4701
Patents: 326.00082 Da
Monoisotopic Mass: 2.6
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]+	327.00810	165.0
[M+Na]+	348.99004	173.6
[M+NH4]+	344.03464	170.4
[M+K]+	364.96398	169.6
[M-H]-	324.99354	161.2
[M+Na-2H]-	346.97549	165.7
[M]+	326.00027	165.6
[M]-	326.00137	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe