CID 3060470

B 688

Structural Information

Molecular Formula
C9H19Cl2N2O2P
SMILES
CC(CN(CCCCl)P1(=O)NCCCO1)Cl
InChI
InChI=1S/C9H19Cl2N2O2P/c1-9(11)8-13(6-2-4-10)16(14)12-5-3-7-15-16/h9H,2-8H2,1H3,(H,12,14)
InChIKey
QKLBGELOPHDOQQ-UHFFFAOYSA-N
Compound name
N-(2-chloropropyl)-N-(3-chloropropyl)-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06340 161.2
[M+Na]+ 311.04534 170.3
[M+NH4]+ 306.08994 169.2
[M+K]+ 327.01928 163.2
[M-H]- 287.04884 162.3
[M+Na-2H]- 309.03079 165.0
[M]+ 288.05557 163.1
[M]- 288.05667 163.1
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.