CID 3060708

B 507

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
CN1CCOP1(=O)N(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c1-10-6-7-13-14(10,12)11(4-2-8)5-3-9/h2-7H2,1H3
InChIKey
ZMTXGSOAIUYAHQ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-methyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.032076 151.9
[M+Na]+ 283.014018 159.8
[M-H]- 259.017524 154.1
[M+NH4]+ 278.058623 171.9
[M+K]+ 298.987958 157.9
[M+H-H2O]+ 243.022060 145.2
[M+HCOO]- 305.023001 170.1
[M+CH3COO]- 319.038651 196.2
[M+Na-2H]- 280.999466 153.2
[M]+ 260.02425142 157.2
[M]- 260.02534858 157.2
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.