CID 594481

2,2,2-trichloro-1,1-dimethylethyl dichlorophosphite

Structural Information

Molecular Formula
C4H6Cl5OP
SMILES
CC(C)(C(Cl)(Cl)Cl)OP(Cl)Cl
InChI
InChI=1S/C4H6Cl5OP/c1-3(2,4(5,6)7)10-11(8)9/h1-2H3
InChIKey
XDLCMHDXDUGTMG-UHFFFAOYSA-N
Compound name
dichloro-(1,1,1-trichloro-2-methylpropan-2-yl)oxyphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

275.8599 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.86718 151.8
[M+Na]+ 298.84912 160.0
[M-H]- 274.85262 147.8
[M+NH4]+ 293.89372 168.6
[M+K]+ 314.82306 155.6
[M+H-H2O]+ 258.85716 149.5
[M+HCOO]- 320.85810 151.3
[M+CH3COO]- 334.87375 198.1
[M+Na-2H]- 296.83457 152.0
[M]+ 275.85935 152.8
[M]- 275.86045 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe