CID 38388

Tris(1,3-dichloropropyl) phosphate

Structural Information

Molecular Formula
C9H15Cl6O4P
SMILES
C(CCl)C(OP(=O)(OC(CCCl)Cl)OC(CCCl)Cl)Cl
InChI
InChI=1S/C9H15Cl6O4P/c10-4-1-7(13)17-20(16,18-8(14)2-5-11)19-9(15)3-6-12/h7-9H,1-6H2
InChIKey
DHNUXDYAOVSGII-UHFFFAOYSA-N
Compound name
tris(1,3-dichloropropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3691
Patents

427.8839 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.89118 178.4
[M+Na]+ 450.87312 183.3
[M-H]- 426.87662 172.6
[M+NH4]+ 445.91772 189.0
[M+K]+ 466.84706 179.9
[M+H-H2O]+ 410.88116 176.1
[M+HCOO]- 472.88210 172.6
[M+CH3COO]- 486.89775 221.8
[M+Na-2H]- 448.85857 173.4
[M]+ 427.88335 181.6
[M]- 427.88445 181.6
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