CID 211032

B 739

Structural Information

Molecular Formula
C10H21Cl2N2O2P
SMILES
CCCN1CCCOP1(=O)N(CCCl)CCCl
InChI
InChI=1S/C10H21Cl2N2O2P/c1-2-6-13-7-3-10-16-17(13,15)14(8-4-11)9-5-12/h2-10H2,1H3
InChIKey
AHNZGDLSLKEBHU-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-3-propyl-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07906 164.6
[M+Na]+ 325.06100 170.4
[M-H]- 301.06450 166.1
[M+NH4]+ 320.10560 181.2
[M+K]+ 341.03494 168.2
[M+H-H2O]+ 285.06904 157.1
[M+HCOO]- 347.06998 179.9
[M+CH3COO]- 361.08563 205.4
[M+Na-2H]- 323.04645 165.5
[M]+ 302.07123 169.2
[M]- 302.07233 169.2
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.