CID 169493192

O-demethyl phosphamidon

Structural Information

Molecular Formula
C9H17ClNO5P
SMILES
CCN(CC)C(=O)/C(=C(\C)/OP(=O)(O)OC)/Cl
InChI
InChI=1S/C9H17ClNO5P/c1-5-11(6-2)9(12)8(10)7(3)16-17(13,14)15-4/h5-6H2,1-4H3,(H,13,14)/b8-7-
InChIKey
PQNDRZSHOCLWTN-FPLPWBNLSA-N
Compound name
[(Z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.05328 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.060556 159.7
[M+Na]+ 308.042498 165.7
[M-H]- 284.046004 159.2
[M+NH4]+ 303.087103 176.7
[M+K]+ 324.016438 165.3
[M+H-H2O]+ 268.050540 153.7
[M+HCOO]- 330.051481 180.9
[M+CH3COO]- 344.067131 201.4
[M+Na-2H]- 306.027946 158.5
[M]+ 285.05273142 167.1
[M]- 285.05382858 167.1
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.