CID 3060715

B 799

Structural Information

Molecular Formula
C15H23Cl2N2O2P
SMILES
CC1CCN(P(=O)(O1)N(CCCl)CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C15H23Cl2N2O2P/c1-14-7-10-19(13-15-5-3-2-4-6-15)22(20,21-14)18(11-8-16)12-9-17/h2-6,14H,7-13H2,1H3
InChIKey
FWWVEPKCQUPTBK-UHFFFAOYSA-N
Compound name
3-benzyl-N,N-bis(2-chloroethyl)-6-methyl-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09471 180.5
[M+Na]+ 387.07665 193.0
[M+NH4]+ 382.12125 189.3
[M+K]+ 403.05059 183.4
[M-H]- 363.08015 185.1
[M+Na-2H]- 385.06210 187.4
[M]+ 364.08688 184.2
[M]- 364.08798 184.2
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.