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]+ 261.03208 151.9
[M+Na]+ 283.01402 159.8
[M-H]- 259.01752 154.1
[M+NH4]+ 278.05862 171.9
[M+K]+ 298.98796 157.9
[M+H-H2O]+ 243.02206 145.2
[M+HCOO]- 305.02300 170.1
[M+CH3COO]- 319.03865 196.2
[M+Na-2H]- 280.99947 153.2
[M]+ 260.02425 157.2
[M]- 260.02535 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.