CID 4137481

152877-66-2

Structural Information

Molecular Formula
C28H23NPSSe
SMILES
C[Se]C1=C(N=C(S1)C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H23NPSSe/c1-32-28-26(29-27(31-28)22-14-6-2-7-15-22)30(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3/q+1
InChIKey
KLGHIHJVICZQMZ-UHFFFAOYSA-N
Compound name
(5-methylselanyl-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0454 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.05268 224.3
[M+Na]+ 539.03462 228.8
[M-H]- 515.03812 236.3
[M+NH4]+ 534.07922 232.1
[M+K]+ 555.00856 214.9
[M+H-H2O]+ 499.04266 212.1
[M+HCOO]- 561.04360 244.0
[M+CH3COO]- 575.05925 225.8
[M+Na-2H]- 537.02007 221.8
[M]+ 516.04485 222.3
[M]- 516.04595 222.3
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.