CID 75178

2213-84-5

Structural Information

Molecular Formula
C9H11Cl3NO3P
SMILES
CCNP(=O)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H11Cl3NO3P/c1-3-13-17(14,15-2)16-9-5-7(11)6(10)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKey
GFUPZVAJBBMJEJ-UHFFFAOYSA-N
Compound name
N-[methoxy-(2,4,5-trichlorophenoxy)phosphoryl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.95422 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.96150 160.2
[M+Na]+ 339.94344 170.7
[M-H]- 315.94694 162.3
[M+NH4]+ 334.98804 177.2
[M+K]+ 355.91738 165.8
[M+H-H2O]+ 299.95148 155.1
[M+HCOO]- 361.95242 175.0
[M+CH3COO]- 375.96807 205.5
[M+Na-2H]- 337.92889 162.1
[M]+ 316.95367 168.1
[M]- 316.95477 168.1
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

patents stripe