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 181.0
[M+Na]+ 387.07665 187.0
[M-H]- 363.08015 185.5
[M+NH4]+ 382.12125 195.0
[M+K]+ 403.05059 183.3
[M+H-H2O]+ 347.08469 171.4
[M+HCOO]- 409.08563 196.0
[M+CH3COO]- 423.10128 216.8
[M+Na-2H]- 385.06210 180.7
[M]+ 364.08688 185.4
[M]- 364.08798 185.4
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.