CID 139256

Tetraphosphorus pentasulfide

Structural Information

Molecular Formula
P4S5
SMILES
P12P3SP(S1)SP(S2)S3
InChI
InChI=1S/P4S5/c5-1-2-7-3(5)9-4(6-1)8-2
InChIKey
LOZDOQJARMKMFN-UHFFFAOYSA-N
Compound name
2,4,6,8,9-pentathia-1,3,5,7-tetraphosphatricyclo[3.3.1.03,7]nonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

283.7554 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.76268 120.7
[M+Na]+ 306.74462 129.3
[M-H]- 282.74812 114.5
[M+NH4]+ 301.78922 144.0
[M+K]+ 322.71856 127.7
[M+H-H2O]+ 266.75266 111.0
[M+HCOO]- 328.75360 139.4
[M+CH3COO]- 342.76925 131.0
[M+Na-2H]- 304.73007 125.4
[M]+ 283.75485 123.0
[M]- 283.75595 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe