CID 23274195

O=p(ome)(n)o-2,4,5-clphenyl

Structural Information

Molecular Formula
C7H7Cl3NO3P
SMILES
COP(=O)(N)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C7H7Cl3NO3P/c1-13-15(11,12)14-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3,(H2,11,12)
InChIKey
LHLSFIFWJGRDOC-UHFFFAOYSA-N
Compound name
1-[amino(methoxy)phosphoryl]oxy-2,4,5-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.9229 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.93018 151.3
[M+Na]+ 311.91212 162.7
[M-H]- 287.91562 153.2
[M+NH4]+ 306.95672 169.2
[M+K]+ 327.88606 157.8
[M+H-H2O]+ 271.92016 146.8
[M+HCOO]- 333.92110 166.2
[M+CH3COO]- 347.93675 199.2
[M+Na-2H]- 309.89757 153.2
[M]+ 288.92235 157.5
[M]- 288.92345 157.5
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

patents stripe