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 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

literature stripe

Patent stripe

patents stripe