CID 3060717

B 797

Structural Information

Molecular Formula
C12H25Cl2N2O2P
SMILES
CCCCN1CCC(OP1(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C12H25Cl2N2O2P/c1-3-4-8-15-9-5-12(2)18-19(15,17)16(10-6-13)11-7-14/h12H,3-11H2,1-2H3
InChIKey
RUYFFEWWQBXUBY-UHFFFAOYSA-N
Compound name
3-butyl-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

330.10306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11034 173.3
[M+Na]+ 353.09228 179.3
[M-H]- 329.09578 174.9
[M+NH4]+ 348.13688 189.2
[M+K]+ 369.06622 176.6
[M+H-H2O]+ 313.10032 165.8
[M+HCOO]- 375.10126 188.0
[M+CH3COO]- 389.11691 212.4
[M+Na-2H]- 351.07773 172.7
[M]+ 330.10251 179.1
[M]- 330.10361 179.1
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.