CID 217363

38672-36-5

Structural Information

Molecular Formula
C8H16Cl3O3P
SMILES
CCOP(=O)(C)OCCCCC(Cl)(Cl)Cl
InChI
InChI=1S/C8H16Cl3O3P/c1-3-13-15(2,12)14-7-5-4-6-8(9,10)11/h3-7H2,1-2H3
InChIKey
BMRYAQIUSSCJPX-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-5-[ethoxy(methyl)phosphoryl]oxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99026 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99754 160.7
[M+Na]+ 318.97948 169.3
[M-H]- 294.98298 159.2
[M+NH4]+ 314.02408 178.6
[M+K]+ 334.95342 164.8
[M+H-H2O]+ 278.98752 156.8
[M+HCOO]- 340.98846 172.0
[M+CH3COO]- 355.00411 198.9
[M+Na-2H]- 316.96493 163.5
[M]+ 295.98971 169.4
[M]- 295.99081 169.4
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.