CID 3060723

B 785

Structural Information

Molecular Formula
C14H29Cl2N2O2P
SMILES
CCCCCCC1CC(NP(=O)(O1)N(CCCl)CCCl)C
InChI
InChI=1S/C14H29Cl2N2O2P/c1-3-4-5-6-7-14-12-13(2)17-21(19,20-14)18(10-8-15)11-9-16/h13-14H,3-12H2,1-2H3,(H,17,19)
InChIKey
SDYUQVDXNIPFCI-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-6-hexyl-4-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13437 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14165 181.9
[M+Na]+ 381.12359 191.1
[M+NH4]+ 376.16819 189.2
[M+K]+ 397.09753 182.5
[M-H]- 357.12709 183.2
[M+Na-2H]- 379.10904 184.4
[M]+ 358.13382 183.9
[M]- 358.13492 183.9
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.