CID 96193

78218-72-1

Structural Information

Molecular Formula
C12H17Cl3NO3P
SMILES
C1=CC=C(C=C1)OP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C12H17Cl3NO3P/c13-6-9-16(10-7-14)20(17,18-11-8-15)19-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
CCJANWHEDDRRBP-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-chloroethoxy(phenoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.00116 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00844 175.2
[M+Na]+ 381.99038 186.4
[M+NH4]+ 377.03498 181.9
[M+K]+ 397.96432 179.2
[M-H]- 357.99388 175.6
[M+Na-2H]- 379.97583 180.3
[M]+ 359.00061 177.6
[M]- 359.00171 177.6
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.