CID 3060728

B 732

Structural Information

Molecular Formula
C14H25Cl2N2O2P
SMILES
C1CN(P(=O)(OC1)N(CCCl)CCCl)C2CC3CCC2C3
InChI
InChI=1S/C14H25Cl2N2O2P/c15-4-7-17(8-5-16)21(19)18(6-1-9-20-21)14-11-12-2-3-13(14)10-12/h12-14H,1-11H2
InChIKey
ZLBNYBHGAIOWNL-UHFFFAOYSA-N
Compound name
3-(2-bicyclo[2.2.1]heptanyl)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11034 175.8
[M+Na]+ 377.09228 183.6
[M+NH4]+ 372.13688 185.2
[M+K]+ 393.06622 178.8
[M-H]- 353.09578 178.2
[M+Na-2H]- 375.07773 177.2
[M]+ 354.10251 177.8
[M]- 354.10361 177.8
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.