CID 6509946

Brn 2872347

Structural Information

Molecular Formula
C11H14N3O3P
SMILES
CCOP(=O)(NC)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C11H14N3O3P/c1-3-16-18(15,13-2)17-14-11(9-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,13,15)/b14-11-
InChIKey
FYAKPNMZLATOBT-KAMYIIQDSA-N
Compound name
(E)-N-[ethoxy(methylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07727 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08455 157.5
[M+Na]+ 290.06649 164.4
[M-H]- 266.06999 160.2
[M+NH4]+ 285.11109 172.2
[M+K]+ 306.04043 163.5
[M+H-H2O]+ 250.07453 141.7
[M+HCOO]- 312.07547 183.9
[M+CH3COO]- 326.09112 213.0
[M+Na-2H]- 288.05194 161.2
[M]+ 267.07672 155.7
[M]- 267.07782 155.7
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.