CID 93459

Bis(2-chloropropyl) 2-chloro-1-methylethyl phosphate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

326.00082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.00810 165.0
[M+Na]+ 348.99004 173.6
[M+NH4]+ 344.03464 170.4
[M+K]+ 364.96398 169.6
[M-H]- 324.99354 161.2
[M+Na-2H]- 346.97549 165.7
[M]+ 326.00027 165.6
[M]- 326.00137 165.6
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

patents stripe