CID 155822712

2230853-81-1

Structural Information

Molecular Formula
C9H13ClNO3P
SMILES
CCOP(=O)(C1=CN=C(C=C1)Cl)OCC
InChI
InChI=1S/C9H13ClNO3P/c1-3-13-15(12,14-4-2)8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3
InChIKey
HMMXTBQAZWPHKH-UHFFFAOYSA-N
Compound name
2-chloro-5-diethoxyphosphorylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.03217 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.03945 151.5
[M+Na]+ 272.02139 160.6
[M-H]- 248.02489 152.9
[M+NH4]+ 267.06599 169.1
[M+K]+ 287.99533 158.0
[M+H-H2O]+ 232.02943 143.5
[M+HCOO]- 294.03037 174.6
[M+CH3COO]- 308.04602 191.5
[M+Na-2H]- 270.00684 155.7
[M]+ 249.03162 158.7
[M]- 249.03272 158.7
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.