CID 44622255

Sulfonium, tris[4-[(4-acetylphenyl)thio]phenyl]-, hexafluorophosphate(1-) (1:1)

Structural Information

Molecular Formula
C42H33O3S4
SMILES
CC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=C(C=C3)SC4=CC=C(C=C4)C(=O)C)C5=CC=C(C=C5)SC6=CC=C(C=C6)C(=O)C
InChI
InChI=1S/C42H33O3S4/c1-28(43)31-4-10-34(11-5-31)46-37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-35-12-6-32(7-13-35)29(2)44)42-26-20-39(21-27-42)48-36-14-8-33(9-15-36)30(3)45/h4-27H,1-3H3/q+1
InChIKey
ULNJZOIDTANZKR-UHFFFAOYSA-N
Compound name
tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

611
Patents

713.1312 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.13848 228.7
[M+Na]+ 736.12042 246.4
[M+NH4]+ 731.16502 237.1
[M+K]+ 752.09436 231.3
[M-H]- 712.12392 241.9
[M+Na-2H]- 734.10587 244.4
[M]+ 713.13065 237.4
[M]- 713.13175 237.4
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

patents stripe