CID 22522

Tris(2-chloropropyl) phosphate

Structural Information

Molecular Formula
C9H18Cl3O4P
SMILES
CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl
InChI
InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3
InChIKey
GTRSAMFYSUBAGN-UHFFFAOYSA-N
Compound name
tris(2-chloropropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

17
References

7288
Patents

326.00082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe