CID 26177

13674-87-8

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

152
References

3229
Patents

427.8839 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.89118 188.0
[M+Na]+ 450.87312 195.5
[M+NH4]+ 445.91772 191.8
[M+K]+ 466.84706 190.0
[M-H]- 426.87662 183.4
[M+Na-2H]- 448.85857 187.4
[M]+ 427.88335 188.7
[M]- 427.88445 188.7
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