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 183.2
[M+Na]+ 381.12359 187.9
[M-H]- 357.12709 183.0
[M+NH4]+ 376.16819 197.2
[M+K]+ 397.09753 183.9
[M+H-H2O]+ 341.13163 175.6
[M+HCOO]- 403.13257 195.7
[M+CH3COO]- 417.14822 215.8
[M+Na-2H]- 379.10904 181.0
[M]+ 358.13382 187.8
[M]- 358.13492 187.8
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.