CID 139597420

Ns00050640

Structural Information

Molecular Formula
C2HCl4N3P
SMILES
C1(=N[P+](N=C(N1)Cl)(Cl)Cl)Cl
InChI
InChI=1S/C2HCl4N3P/c3-1-7-2(4)9-10(5,6)8-1/h(H,7,8,9)/q+1
InChIKey
TVPOHAVKPFOEBS-UHFFFAOYSA-N
Compound name
2,2,4,6-tetrachloro-5H-1,3,5,2-triazaphosphinin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.86623 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.873506 127.8
[M+Na]+ 260.855448 137.7
[M-H]- 236.858954 122.4
[M+NH4]+ 255.900053 143.6
[M+K]+ 276.829388 128.7
[M+H-H2O]+ 220.863490 124.2
[M+HCOO]- 282.864431 131.2
[M+CH3COO]- 296.880081 180.0
[M+Na-2H]- 258.840896 133.4
[M]+ 237.86568142 125.3
[M]- 237.86677858 125.3
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.