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]+ 428.89118 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.