CID 110959

Einecs 230-779-4

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 160.9
[M+Na]+ 332.99514 168.2
[M-H]- 308.99864 159.3
[M+NH4]+ 328.03974 178.1
[M+K]+ 348.96908 164.3
[M+H-H2O]+ 293.00318 157.2
[M+HCOO]- 355.00412 171.0
[M+CH3COO]- 369.01977 204.2
[M+Na-2H]- 330.98059 159.2
[M]+ 310.00537 169.2
[M]- 310.00647 169.2
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