CID 95986

78149-83-4

Structural Information

Molecular Formula
C8H17Cl2N2O2P
SMILES
CC(CN(CCCl)P1(=O)NCCCO1)Cl
InChI
InChI=1S/C8H17Cl2N2O2P/c1-8(10)7-12(5-3-9)15(13)11-4-2-6-14-15/h8H,2-7H2,1H3,(H,11,13)
InChIKey
SMERYMOESUHYBH-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-(2-chloropropyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04047 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04775 156.2
[M+Na]+ 297.02969 161.4
[M-H]- 273.03319 156.5
[M+NH4]+ 292.07429 172.9
[M+K]+ 313.00363 159.2
[M+H-H2O]+ 257.03773 149.4
[M+HCOO]- 319.03867 169.8
[M+CH3COO]- 333.05432 196.6
[M+Na-2H]- 295.01514 157.3
[M]+ 274.03992 157.4
[M]- 274.04102 157.4
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.