CID 3005563

Nsc329132

Structural Information

Molecular Formula
C29H28PS2
SMILES
CCS/C(=C(\C1=CC=CC=C1)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/SC
InChI
InChI=1S/C29H28PS2/c1-3-32-29(31-2)28(24-16-8-4-9-17-24)30(25-18-10-5-11-19-25,26-20-12-6-13-21-26)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3/q+1/b29-28+
InChIKey
QQGVMQYIUVEGRT-ZQHSETAFSA-N
Compound name
[(E)-2-ethylsulfanyl-2-methylsulfanyl-1-phenylethenyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.137 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.14428 210.5
[M+Na]+ 494.12622 212.6
[M-H]- 470.12972 219.6
[M+NH4]+ 489.17082 217.9
[M+K]+ 510.10016 198.6
[M+H-H2O]+ 454.13426 200.0
[M+HCOO]- 516.13520 224.0
[M+CH3COO]- 530.15085 226.5
[M+Na-2H]- 492.11167 208.8
[M]+ 471.13645 208.1
[M]- 471.13755 208.1
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.