CID 9011

Merphos

Structural Information

Molecular Formula
C12H27PS3
SMILES
CCCCSP(SCCCC)SCCCC
InChI
InChI=1S/C12H27PS3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey
KLAPGAOQRZTCBI-UHFFFAOYSA-N
Compound name
tris(butylsulfanyl)phosphane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

14
References

1400
Patents

298.10126 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10854 160.0
[M+Na]+ 321.09048 163.4
[M-H]- 297.09398 157.2
[M+NH4]+ 316.13508 176.2
[M+K]+ 337.06442 157.4
[M+H-H2O]+ 281.09852 150.5
[M+HCOO]- 343.09946 169.3
[M+CH3COO]- 357.11511 206.6
[M+Na-2H]- 319.07593 153.0
[M]+ 298.10071 165.3
[M]- 298.10181 165.3
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