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 174.2
[M+Na]+ 381.99038 181.2
[M-H]- 357.99388 176.2
[M+NH4]+ 377.03498 189.4
[M+K]+ 397.96432 176.5
[M+H-H2O]+ 341.99842 167.4
[M+HCOO]- 403.99936 188.6
[M+CH3COO]- 418.01501 213.9
[M+Na-2H]- 379.97583 175.8
[M]+ 359.00061 183.5
[M]- 359.00171 183.5
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

No patent data available for this compound.