CID 6504494

Brn 2885244

Structural Information

Molecular Formula
C11H13ClN3O3P
SMILES
CCOP(=O)(NC)O/N=C(/C#N)\C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H13ClN3O3P/c1-3-17-19(16,14-2)18-15-11(8-13)9-4-6-10(12)7-5-9/h4-7H,3H2,1-2H3,(H,14,16)/b15-11-
InChIKey
KCHQCSFNEDVXNP-PTNGSMBKSA-N
Compound name
(1E)-4-chloro-N-[ethoxy(methylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04558 162.4
[M+Na]+ 324.02752 171.2
[M-H]- 300.03102 165.7
[M+NH4]+ 319.07212 177.3
[M+K]+ 340.00146 168.4
[M+H-H2O]+ 284.03556 148.0
[M+HCOO]- 346.03650 185.0
[M+CH3COO]- 360.05215 217.3
[M+Na-2H]- 322.01297 165.4
[M]+ 301.03775 163.0
[M]- 301.03885 163.0
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.