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]+ 275.047746 156.2
[M+Na]+ 297.029688 161.4
[M-H]- 273.033194 156.5
[M+NH4]+ 292.074293 172.9
[M+K]+ 313.003628 159.2
[M+H-H2O]+ 257.037730 149.4
[M+HCOO]- 319.038671 169.8
[M+CH3COO]- 333.054321 196.6
[M+Na-2H]- 295.015136 157.3
[M]+ 274.03992142 157.4
[M]- 274.04101858 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.