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 182.2
[M+Na]+ 377.09228 186.8
[M-H]- 353.09578 185.5
[M+NH4]+ 372.13688 201.2
[M+K]+ 393.06622 183.2
[M+H-H2O]+ 337.10032 174.2
[M+HCOO]- 399.10126 194.0
[M+CH3COO]- 413.11691 213.7
[M+Na-2H]- 375.07773 178.2
[M]+ 354.10251 183.5
[M]- 354.10361 183.5
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.