CID 50203

68460-03-7

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

427.8839 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.891176 178.4
[M+Na]+ 450.873118 183.3
[M-H]- 426.876624 172.6
[M+NH4]+ 445.917723 189.0
[M+K]+ 466.847058 179.9
[M+H-H2O]+ 410.881160 176.1
[M+HCOO]- 472.882101 172.6
[M+CH3COO]- 486.897751 221.8
[M+Na-2H]- 448.858566 173.4
[M]+ 427.88335142 181.6
[M]- 427.88444858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.