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]+ 286.06056 159.7
[M+Na]+ 308.04250 165.7
[M-H]- 284.04600 159.2
[M+NH4]+ 303.08710 176.7
[M+K]+ 324.01644 165.3
[M+H-H2O]+ 268.05054 153.7
[M+HCOO]- 330.05148 180.9
[M+CH3COO]- 344.06713 201.4
[M+Na-2H]- 306.02795 158.5
[M]+ 285.05273 167.1
[M]- 285.05383 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.