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 173.1
[M+Na]+ 381.99038 182.2
[M-H]- 357.99388 174.9
[M+NH4]+ 377.03498 188.5
[M+K]+ 397.96432 177.0
[M+H-H2O]+ 341.99842 167.7
[M+HCOO]- 403.99936 186.1
[M+CH3COO]- 418.01501 214.8
[M+Na-2H]- 379.97583 172.5
[M]+ 359.00061 181.6
[M]- 359.00171 181.6
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.