CID 118265

35944-79-7

Structural Information

Molecular Formula
C12H17Cl3NO3P
SMILES
CCC(C)NP(=O)(OCC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C12H17Cl3NO3P/c1-4-8(3)16-20(17,18-5-2)19-12-7-10(14)9(13)6-11(12)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKey
VOUBKSHRZUYSNM-UHFFFAOYSA-N
Compound name
N-[ethoxy-(2,4,5-trichlorophenoxy)phosphoryl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.00116 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00844 175.3
[M+Na]+ 381.99038 187.0
[M+NH4]+ 377.03498 181.7
[M+K]+ 397.96432 180.6
[M-H]- 357.99388 175.4
[M+Na-2H]- 379.97583 179.2
[M]+ 359.00061 177.7
[M]- 359.00171 177.7
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.