CID 205558

18183-53-4

Structural Information

Molecular Formula
C10H19Cl3NO4P
SMILES
CCCCOP(=O)(NC(=O)C(Cl)(Cl)Cl)OCCCC
InChI
InChI=1S/C10H19Cl3NO4P/c1-3-5-7-17-19(16,18-8-6-4-2)14-9(15)10(11,12)13/h3-8H2,1-2H3,(H,14,15,16)
InChIKey
FGWVWHHVAIIXGY-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-dibutoxyphosphorylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.01172 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.01900 174.0
[M+Na]+ 376.00094 180.9
[M-H]- 352.00444 172.3
[M+NH4]+ 371.04554 189.3
[M+K]+ 391.97488 176.4
[M+H-H2O]+ 336.00898 169.7
[M+HCOO]- 398.00992 185.4
[M+CH3COO]- 412.02557 210.3
[M+Na-2H]- 373.98639 175.3
[M]+ 353.01117 182.8
[M]- 353.01227 182.8
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.