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 156.8
[M+Na]+ 297.02969 164.7
[M-H]- 273.03319 157.9
[M+NH4]+ 292.07429 175.9
[M+K]+ 313.00363 161.7
[M+H-H2O]+ 257.03773 150.6
[M+HCOO]- 319.03867 173.2
[M+CH3COO]- 333.05432 197.7
[M+Na-2H]- 295.01514 156.6
[M]+ 274.03992 160.9
[M]- 274.04102 160.9
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.