CID 10154267

1,3,5-benzenetrithiol

Structural Information

Molecular Formula
C6H6S3
SMILES
C1=C(C=C(C=C1S)S)S
InChI
InChI=1S/C6H6S3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChIKey
KXCKKUIJCYNZAE-UHFFFAOYSA-N
Compound name
benzene-1,3,5-trithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3028
Patents

173.96317 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97045 126.2
[M+Na]+ 196.95239 136.6
[M-H]- 172.95589 130.0
[M+NH4]+ 191.99699 147.3
[M+K]+ 212.92633 130.9
[M+H-H2O]+ 156.96043 121.2
[M+HCOO]- 218.96137 134.2
[M+CH3COO]- 232.97702 179.7
[M+Na-2H]- 194.93784 127.1
[M]+ 173.96262 127.8
[M]- 173.96372 127.8
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