CID 110959

7316-55-4

Structural Information

Molecular Formula
C9H18Cl3O3P
SMILES
CC(CCl)OP(=O)(C(C)CCl)OC(C)CCl
InChI
InChI=1S/C9H18Cl3O3P/c1-7(4-10)14-16(13,9(3)6-12)15-8(2)5-11/h7-9H,4-6H2,1-3H3
InChIKey
AOTIRVBHFRETEJ-UHFFFAOYSA-N
Compound name
1-chloro-2-[1-chloropropan-2-yl(1-chloropropan-2-yloxy)phosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

310.00592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01320 163.3
[M+Na]+ 332.99514 172.3
[M+NH4]+ 328.03974 169.2
[M+K]+ 348.96908 167.8
[M-H]- 308.99864 160.0
[M+Na-2H]- 330.98059 164.4
[M]+ 310.00537 164.2
[M]- 310.00647 164.2
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