CID 3018380

68156-11-6

Structural Information

Molecular Formula
C24H18ClS2
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3SC4=CC=CC=C4Cl
InChI
InChI=1S/C24H18ClS2/c25-21-15-7-8-16-22(21)26-23-17-9-10-18-24(23)27(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H/q+1
InChIKey
GQYNDKCWRPHKFU-UHFFFAOYSA-N
Compound name
[2-(2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.05383 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.06111 192.2
[M+Na]+ 428.04305 199.5
[M-H]- 404.04655 203.9
[M+NH4]+ 423.08765 203.5
[M+K]+ 444.01699 184.6
[M+H-H2O]+ 388.05109 186.2
[M+HCOO]- 450.05203 199.8
[M+CH3COO]- 464.06768 201.2
[M+Na-2H]- 426.02850 194.6
[M]+ 405.05328 193.4
[M]- 405.05438 193.4
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

No patent data available for this compound.