CID 3074468

3-(2-chloroethyl)-2-hydroxy-1,3,6,2-oxadiazaphosphonane 2-oxide

Structural Information

Molecular Formula
C7H16ClN2O3P
SMILES
C1CNCCN(P(=O)(OC1)O)CCCl
InChI
InChI=1S/C7H16ClN2O3P/c8-2-5-10-6-4-9-3-1-7-13-14(10,11)12/h9H,1-7H2,(H,11,12)
InChIKey
SIMWMEHPUXRDQD-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-2-hydroxy-1,3,6,2lambda5-oxadiazaphosphonane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

242.0587 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06598 194.0
[M+Na]+ 265.04792 196.6
[M-H]- 241.05142 194.3
[M+NH4]+ 260.09252 194.5
[M+K]+ 281.02186 194.2
[M+H-H2O]+ 225.05596 186.0
[M+HCOO]- 287.05690 195.2
[M+CH3COO]- 301.07255 195.8
[M+Na-2H]- 263.03337 196.7
[M]+ 242.05815 194.7
[M]- 242.05925 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe