CID 2795241

76621-60-8

Structural Information

Molecular Formula
C27H20NPS2
SMILES
C1=CC=C(C=C1)C2=NC(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=S)S2
InChI
InChI=1S/C27H20NPS2/c30-27-25(28-26(31-27)21-13-5-1-6-14-21)29(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey
KIQSVKKPSJTKLR-UHFFFAOYSA-N
Compound name
2-phenyl-4-(triphenyl-lambda5-phosphanylidene)-1,3-thiazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.07748 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08476 202.6
[M+Na]+ 476.06670 210.0
[M-H]- 452.07020 214.9
[M+NH4]+ 471.11130 212.3
[M+K]+ 492.04064 200.4
[M+H-H2O]+ 436.07474 190.6
[M+HCOO]- 498.07568 219.4
[M+CH3COO]- 512.09133 211.1
[M+Na-2H]- 474.05215 198.5
[M]+ 453.07693 200.1
[M]- 453.07803 200.1
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.