CID 3060714

B 716

Structural Information

Molecular Formula
C11H23Cl2N2O2P
SMILES
C1CNP(=O)(OC1)N(CCCCCl)CCCCCl
InChI
InChI=1S/C11H23Cl2N2O2P/c12-6-1-3-9-15(10-4-2-7-13)18(16)14-8-5-11-17-18/h1-11H2,(H,14,16)
InChIKey
QVXWEAMZPQGXMO-UHFFFAOYSA-N
Compound name
N,N-bis(4-chlorobutyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09471 170.1
[M+Na]+ 339.07665 174.2
[M-H]- 315.08015 169.6
[M+NH4]+ 334.12125 185.1
[M+K]+ 355.05059 170.8
[M+H-H2O]+ 299.08469 162.3
[M+HCOO]- 361.08563 183.6
[M+CH3COO]- 375.10128 204.6
[M+Na-2H]- 337.06210 170.7
[M]+ 316.08688 172.8
[M]- 316.08798 172.8
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.