CID 6444511

Phosphoramidic acid, diethyl-, 2-chlorovinyl ethyl ester

Structural Information

Molecular Formula
C8H17ClNO3P
SMILES
CCN(CC)P(=O)(OCC)O/C=C/Cl
InChI
InChI=1S/C8H17ClNO3P/c1-4-10(5-2)14(11,12-6-3)13-8-7-9/h7-8H,4-6H2,1-3H3/b8-7+
InChIKey
NFSRJCGFQZCJLN-BQYQJAHWSA-N
Compound name
N-[[(E)-2-chloroethenoxy]-ethoxyphosphoryl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.06346 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07074 153.5
[M+Na]+ 264.05268 160.7
[M-H]- 240.05618 154.0
[M+NH4]+ 259.09728 173.2
[M+K]+ 280.02662 159.4
[M+H-H2O]+ 224.06072 147.0
[M+HCOO]- 286.06166 178.5
[M+CH3COO]- 300.07731 196.1
[M+Na-2H]- 262.03813 156.1
[M]+ 241.06291 162.0
[M]- 241.06401 162.0
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