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

1
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 178.2
[M+Na]+ 420.89712 187.9
[M-H]- 396.90062 179.9
[M+NH4]+ 415.94172 192.2
[M+K]+ 436.87106 184.6
[M+H-H2O]+ 380.90516 174.2
[M+HCOO]- 442.90610 182.8
[M+CH3COO]- 456.92175 229.1
[M+Na-2H]- 418.88257 174.5
[M]+ 397.90735 184.6
[M]- 397.90845 184.6
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.