CID 39798

B 526

Structural Information

Molecular Formula
C7H14Cl2NO3P
SMILES
CC1COP(=O)(O1)N(CCCl)CCCl
InChI
InChI=1S/C7H14Cl2NO3P/c1-7-6-12-14(11,13-7)10(4-2-8)5-3-9/h7H,2-6H2,1H3
InChIKey
ARHVEMBWCOUMKL-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-methyl-2-oxo-1,3,2lambda5-dioxaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00885 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01613 153.7
[M+Na]+ 283.99807 161.6
[M-H]- 260.00157 158.0
[M+NH4]+ 279.04267 173.7
[M+K]+ 299.97201 160.9
[M+H-H2O]+ 244.00611 148.4
[M+HCOO]- 306.00705 172.4
[M+CH3COO]- 320.02270 195.8
[M+Na-2H]- 281.98352 156.1
[M]+ 261.00830 160.6
[M]- 261.00940 160.6
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.