CID 3060725

B 783

Structural Information

Molecular Formula
C11H23Cl2N2O2P
SMILES
CCCC1CC(NP(=O)(O1)N(CCCl)CCCl)C
InChI
InChI=1S/C11H23Cl2N2O2P/c1-3-4-11-9-10(2)14-18(16,17-11)15(7-5-12)8-6-13/h10-11H,3-9H2,1-2H3,(H,14,16)
InChIKey
ZTPMQUASYVSDPO-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-methyl-2-oxo-6-propyl-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09471 169.4
[M+Na]+ 339.07665 175.4
[M-H]- 315.08015 169.8
[M+NH4]+ 334.12125 185.2
[M+K]+ 355.05059 172.1
[M+H-H2O]+ 299.08469 162.5
[M+HCOO]- 361.08563 183.0
[M+CH3COO]- 375.10128 207.0
[M+Na-2H]- 337.06210 168.8
[M]+ 316.08688 173.0
[M]- 316.08798 173.0
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.