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

6
Annotation Hits: 55
References: 4956
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]+	327.008096	162.3
[M+Na]+	348.990038	169.6
[M-H]-	324.993544	160.8
[M+NH4]+	344.034643	178.9
[M+K]+	364.963978	166.3
[M+H-H2O]+	308.998080	158.6
[M+HCOO]-	370.999021	172.8
[M+CH3COO]-	385.014671	206.1
[M+Na-2H]-	346.975486	161.0
[M]+	326.00027142	172.1
[M]-	326.00136858	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe