CID 12719218

1,2,4,5-benzenetetrathiol

Structural Information

Molecular Formula
C6H6S4
SMILES
C1=C(C(=CC(=C1S)S)S)S
InChI
InChI=1S/C6H6S4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H
InChIKey
KVPDTCNNKWOGMZ-UHFFFAOYSA-N
Compound name
benzene-1,2,4,5-tetrathiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1101
Patents

205.93524 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94252 133.9
[M+Na]+ 228.92446 144.2
[M-H]- 204.92796 136.3
[M+NH4]+ 223.96906 152.7
[M+K]+ 244.89840 135.8
[M+H-H2O]+ 188.93250 128.5
[M+HCOO]- 250.93344 135.3
[M+CH3COO]- 264.94909 145.3
[M+Na-2H]- 226.90991 133.5
[M]+ 205.93469 133.4
[M]- 205.93579 133.4
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