CID 97294

Ethylphosphonic diamide cyclic 4-chloro-o-phenylene ester

Structural Information

Molecular Formula
C8H10ClN2OP
SMILES
CCP1(=O)NC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C8H10ClN2OP/c1-2-13(12)10-7-4-3-6(9)5-8(7)11-13/h3-5H,2H2,1H3,(H2,10,11,12)
InChIKey
FPWAAIHUIVORGP-UHFFFAOYSA-N
Compound name
5-chloro-2-ethyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02193 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02921 143.1
[M+Na]+ 239.01115 153.5
[M-H]- 215.01465 141.5
[M+NH4]+ 234.05575 164.2
[M+K]+ 254.98509 147.7
[M+H-H2O]+ 199.01919 135.6
[M+HCOO]- 261.02013 162.4
[M+CH3COO]- 275.03578 180.0
[M+Na-2H]- 236.99660 145.6
[M]+ 216.02138 142.7
[M]- 216.02248 142.7
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.