CID 3038082

Phosphamidon amide

Structural Information

Molecular Formula
C6H11ClNO5P
SMILES
C/C(=C(\C(=O)N)/Cl)/OP(=O)(OC)OC
InChI
InChI=1S/C6H11ClNO5P/c1-4(5(7)6(8)9)13-14(10,11-2)12-3/h1-3H3,(H2,8,9)/b5-4-
InChIKey
HXMZBWWTYKUSRI-PLNGDYQASA-N
Compound name
[(Z)-4-amino-3-chloro-4-oxobut-2-en-2-yl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

243.00633 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.01361 146.4
[M+Na]+ 265.99555 153.7
[M-H]- 241.99905 145.6
[M+NH4]+ 261.04015 164.7
[M+K]+ 281.96949 153.2
[M+H-H2O]+ 226.00359 140.7
[M+HCOO]- 288.00453 168.8
[M+CH3COO]- 302.02018 191.6
[M+Na-2H]- 263.98100 146.7
[M]+ 243.00578 152.2
[M]- 243.00688 152.2
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

patents stripe