CID 3060722

B 800

Structural Information

Molecular Formula
C15H31Cl2N2O2P
SMILES
CCCCCCCN1CCC(OP1(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C15H31Cl2N2O2P/c1-3-4-5-6-7-11-18-12-8-15(2)21-22(18,20)19(13-9-16)14-10-17/h15H,3-14H2,1-2H3
InChIKey
FLKUOQCTTWOUGX-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-heptyl-6-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15002 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15730 187.2
[M+Na]+ 395.13924 191.9
[M-H]- 371.14274 188.1
[M+NH4]+ 390.18384 201.3
[M+K]+ 411.11318 188.5
[M+H-H2O]+ 355.14728 179.0
[M+HCOO]- 417.14822 200.8
[M+CH3COO]- 431.16387 221.2
[M+Na-2H]- 393.12469 184.9
[M]+ 372.14947 194.0
[M]- 372.15057 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.