CID 3060467

B 734

Structural Information

Molecular Formula
C9H19Cl2N2O2P
SMILES
CCC(CN(CCCl)P1(=O)NCCCO1)Cl
InChI
InChI=1S/C9H19Cl2N2O2P/c1-2-9(11)8-13(6-4-10)16(14)12-5-3-7-15-16/h9H,2-8H2,1H3,(H,12,14)
InChIKey
VZZOFVBZTBKQQF-UHFFFAOYSA-N
Compound name
N-(2-chlorobutyl)-N-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05612 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06340 160.9
[M+Na]+ 311.04534 165.6
[M-H]- 287.04884 161.0
[M+NH4]+ 306.08994 177.0
[M+K]+ 327.01928 163.2
[M+H-H2O]+ 271.05338 153.8
[M+HCOO]- 333.05432 174.1
[M+CH3COO]- 347.06997 199.6
[M+Na-2H]- 309.03079 161.4
[M]+ 288.05557 162.4
[M]- 288.05667 162.4
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.