CID 15040

1440-97-7

Structural Information

Molecular Formula
C10H12Cl5N2O2P
SMILES
CN(C)P(=O)(N(C)C)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H12Cl5N2O2P/c1-16(2)20(18,17(3)4)19-10-8(14)6(12)5(11)7(13)9(10)15/h1-4H3
InChIKey
RBBJXBKKZWSEHR-UHFFFAOYSA-N
Compound name
N-[dimethylamino-(2,3,4,5,6-pentachlorophenoxy)phosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

397.9079 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.91518 184.8
[M+Na]+ 420.89712 196.5
[M+NH4]+ 415.94172 191.0
[M+K]+ 436.87106 189.9
[M-H]- 396.90062 185.1
[M+Na-2H]- 418.88257 188.1
[M]+ 397.90735 187.8
[M]- 397.90845 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.