CID 54114

B 743

Structural Information

Molecular Formula
C10H20Cl2NO3P
SMILES
CC1C(OP(=O)(OC1C)N(CCCl)CCCl)C
InChI
InChI=1S/C10H20Cl2NO3P/c1-8-9(2)15-17(14,16-10(8)3)13(6-4-11)7-5-12/h8-10H,4-7H2,1-3H3
InChIKey
ILXUCNAYDRMKPL-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4,5,6-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06308 165.2
[M+Na]+ 326.04502 173.1
[M-H]- 302.04852 169.7
[M+NH4]+ 321.08962 182.6
[M+K]+ 342.01896 172.2
[M+H-H2O]+ 286.05306 159.6
[M+HCOO]- 348.05400 181.1
[M+CH3COO]- 362.06965 207.4
[M+Na-2H]- 324.03047 166.1
[M]+ 303.05525 172.3
[M]- 303.05635 172.3
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.