CID 118416

33232-88-1

Structural Information

Molecular Formula
C10H12NO3P
SMILES
CCP(=O)(OC)OC1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H12NO3P/c1-3-15(12,13-2)14-10-6-4-9(8-11)5-7-10/h4-7H,3H2,1-2H3
InChIKey
MNSKANYJEVJUOP-UHFFFAOYSA-N
Compound name
4-[ethyl(methoxy)phosphoryl]oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06276 145.1
[M+Na]+ 248.04470 155.0
[M-H]- 224.04820 147.6
[M+NH4]+ 243.08930 162.2
[M+K]+ 264.01864 153.2
[M+H-H2O]+ 208.05274 131.0
[M+HCOO]- 270.05368 169.8
[M+CH3COO]- 284.06933 200.7
[M+Na-2H]- 246.03015 149.2
[M]+ 225.05493 144.8
[M]- 225.05603 144.8
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.