CID 3090339

(2,2,2-trichloro-1-methoxycarbonylamino-ethyl)-phosphonic acid diethyl ester

Structural Information

Molecular Formula
C8H15Cl3NO5P
SMILES
CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)OC)OCC
InChI
InChI=1S/C8H15Cl3NO5P/c1-4-16-18(14,17-5-2)6(8(9,10)11)12-7(13)15-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKey
GRWPMUBYRSDGIA-UHFFFAOYSA-N
Compound name
methyl N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.97534 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.98262 164.5
[M+Na]+ 363.96456 172.0
[M-H]- 339.96806 163.6
[M+NH4]+ 359.00916 180.3
[M+K]+ 379.93850 169.2
[M+H-H2O]+ 323.97260 160.9
[M+HCOO]- 385.97354 176.1
[M+CH3COO]- 399.98919 206.7
[M+Na-2H]- 361.95001 166.4
[M]+ 340.97479 173.6
[M]- 340.97589 173.6
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.