CID 87949

Lawesson's reagent

Structural Information

Molecular Formula
C14H14O2P2S4
SMILES
COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKey
CFHGBZLNZZVTAY-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

43823
Patents

403.93518 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.94246 154.0
[M+Na]+ 426.92440 157.8
[M-H]- 402.92790 157.0
[M+NH4]+ 421.96900 162.1
[M+K]+ 442.89834 152.6
[M+H-H2O]+ 386.93244 135.9
[M+HCOO]- 448.93338 166.1
[M+CH3COO]- 462.94903 219.3
[M+Na-2H]- 424.90985 153.3
[M]+ 403.93463 160.4
[M]- 403.93573 160.4
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