CID 498419

62217-34-9

Structural Information

Molecular Formula
C25H20PS2
SMILES
C1=CC=C(C=C1)[P+](C2SC3=CC=CC=C3S2)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H20PS2/c1-4-12-20(13-5-1)26(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-27-23-18-10-11-19-24(23)28-25/h1-19,25H/q+1
InChIKey
IEGQCKJIKLHSIB-UHFFFAOYSA-N
Compound name
1,3-benzodithiol-2-yl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

415.0744 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08168 193.6
[M+Na]+ 438.06362 199.8
[M-H]- 414.06712 205.0
[M+NH4]+ 433.10822 206.8
[M+K]+ 454.03756 186.9
[M+H-H2O]+ 398.07166 185.4
[M+HCOO]- 460.07260 210.1
[M+CH3COO]- 474.08825 202.5
[M+Na-2H]- 436.04907 194.4
[M]+ 415.07385 191.3
[M]- 415.07495 191.3
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.