CID 3060704

B 727

Structural Information

Molecular Formula
C8H17Cl2N2O2P
SMILES
CC1C(OP(=O)(N1)N(CCCl)CCCl)C
InChI
InChI=1S/C8H17Cl2N2O2P/c1-7-8(2)14-15(13,11-7)12(5-3-9)6-4-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKey
BHCFYGDNRSKVKV-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04047 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04775 155.5
[M+Na]+ 297.02969 164.7
[M+NH4]+ 292.07429 163.4
[M+K]+ 313.00363 159.6
[M-H]- 273.03319 156.1
[M+Na-2H]- 295.01514 158.6
[M]+ 274.03992 157.2
[M]- 274.04102 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.