CID 376275

Nsc656988

Structural Information

Molecular Formula
C17H17Cl4N2O4P
SMILES
CN(C)CCN(C)P12(OC3=CC=CC=C3O1)OC4=C(O2)C(=C(C(=C4Cl)Cl)Cl)Cl
InChI
InChI=1S/C17H17Cl4N2O4P/c1-22(2)8-9-23(3)28(24-10-6-4-5-7-11(10)25-28)26-16-14(20)12(18)13(19)15(21)17(16)27-28/h4-7H,8-9H2,1-3H3
InChIKey
QVCFMLYOBQQYEN-UHFFFAOYSA-N
Compound name
N,N,N'-trimethyl-N'-(4',5',6',7'-tetrachloro-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.96802 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.97530 214.5
[M+Na]+ 506.95724 223.7
[M-H]- 482.96074 222.6
[M+NH4]+ 502.00184 225.8
[M+K]+ 522.93118 223.6
[M+H-H2O]+ 466.96528 209.4
[M+HCOO]- 528.96622 218.6
[M+CH3COO]- 542.98187 223.0
[M+Na-2H]- 504.94269 210.1
[M]+ 483.96747 225.4
[M]- 483.96857 225.4
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.