CID 9562484

Bayer 10050

Structural Information

Molecular Formula
C12H15N2O4P
SMILES
CCOP(=O)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
InChI
InChI=1S/C12H15N2O4P/c1-3-16-19(15,17-4-2)18-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
InChIKey
LSUIQEGRPQBHDW-WYMLVPIESA-N
Compound name
[(Z)-[cyano(phenyl)methylidene]amino] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07693 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08421 164.8
[M+Na]+ 305.06615 173.5
[M+NH4]+ 300.11075 166.9
[M+K]+ 321.04009 165.8
[M-H]- 281.06965 157.6
[M+Na-2H]- 303.05160 166.6
[M]+ 282.07638 162.8
[M]- 282.07748 162.8
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.