CID 615706

Tris(phenylthio)methane

Structural Information

Molecular Formula
C19H16S3
SMILES
C1=CC=C(C=C1)SC(SC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H16S3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15,19H
InChIKey
YOQHDHPBEXTHCP-UHFFFAOYSA-N
Compound name
bis(phenylsulfanyl)methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

340.0414 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.04868 171.5
[M+Na]+ 363.03062 178.6
[M-H]- 339.03412 179.2
[M+NH4]+ 358.07522 185.1
[M+K]+ 379.00456 169.4
[M+H-H2O]+ 323.03866 164.0
[M+HCOO]- 385.03960 178.8
[M+CH3COO]- 399.05525 181.0
[M+Na-2H]- 361.01607 173.1
[M]+ 340.04085 171.6
[M]- 340.04195 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe