CID 3060726

B 794

Structural Information

Molecular Formula
C11H23Cl2N2O2P
SMILES
CCCN1CCC(OP1(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C11H23Cl2N2O2P/c1-3-7-14-8-4-11(2)17-18(14,16)15(9-5-12)10-6-13/h11H,3-10H2,1-2H3
InChIKey
FRWRKDLNJOVYHD-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-6-methyl-2-oxo-3-propyl-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09471 168.7
[M+Na]+ 339.07665 175.1
[M-H]- 315.08015 170.4
[M+NH4]+ 334.12125 185.1
[M+K]+ 355.05059 172.6
[M+H-H2O]+ 299.08469 161.4
[M+HCOO]- 361.08563 183.7
[M+CH3COO]- 375.10128 209.5
[M+Na-2H]- 337.06210 168.6
[M]+ 316.08688 174.1
[M]- 316.08798 174.1
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.