CID 118890

35944-82-2

Structural Information

Molecular Formula
C8H9Cl3NO3P
SMILES
CCNP(=O)(O)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C8H9Cl3NO3P/c1-2-12-16(13,14)15-8-4-6(10)5(9)3-7(8)11/h3-4H,2H2,1H3,(H2,12,13,14)
InChIKey
USVLJVIGRGWNOT-UHFFFAOYSA-N
Compound name
N-ethyl-(2,4,5-trichlorophenoxy)phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.93857 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.94585 155.8
[M+Na]+ 325.92779 166.3
[M-H]- 301.93129 156.7
[M+NH4]+ 320.97239 172.7
[M+K]+ 341.90173 160.7
[M+H-H2O]+ 285.93583 151.3
[M+HCOO]- 347.93677 169.5
[M+CH3COO]- 361.95242 200.3
[M+Na-2H]- 323.91324 157.7
[M]+ 302.93802 161.5
[M]- 302.93912 161.5
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.