CID 3090323

(1-acetylamino-2,2,2-trichloro-ethyl)-phosphonic acid dimethyl ester

Structural Information

Molecular Formula
C6H11Cl3NO4P
SMILES
CC(=O)NC(C(Cl)(Cl)Cl)P(=O)(OC)OC
InChI
InChI=1S/C6H11Cl3NO4P/c1-4(11)10-5(6(7,8)9)15(12,13-2)14-3/h5H,1-3H3,(H,10,11)
InChIKey
IJDXCQYFCRKZDM-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.94913 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.95641 153.8
[M+Na]+ 319.93835 162.2
[M-H]- 295.94185 153.1
[M+NH4]+ 314.98295 171.3
[M+K]+ 335.91229 159.1
[M+H-H2O]+ 279.94639 150.6
[M+HCOO]- 341.94733 165.7
[M+CH3COO]- 355.96298 199.6
[M+Na-2H]- 317.92380 156.3
[M]+ 296.94858 160.8
[M]- 296.94968 160.8
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

No patent data available for this compound.