CID 10902862

Bis(thiobenzoyl) disulfide

Structural Information

Molecular Formula
C14H10S4
SMILES
C1=CC=C(C=C1)C(=S)SSC(=S)C2=CC=CC=C2
InChI
InChI=1S/C14H10S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
InChIKey
LWGLGSPYKZTZBM-UHFFFAOYSA-N
Compound name
benzenecarbonothioylsulfanyl benzenecarbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1740
Patents

305.96652 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.97380 164.0
[M+Na]+ 328.95574 171.4
[M-H]- 304.95924 167.8
[M+NH4]+ 324.00034 178.3
[M+K]+ 344.92968 160.7
[M+H-H2O]+ 288.96378 157.5
[M+HCOO]- 350.96472 164.0
[M+CH3COO]- 364.98037 172.5
[M+Na-2H]- 326.94119 163.8
[M]+ 305.96597 160.7
[M]- 305.96707 160.7
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