CID 139298

Tetraarsenic tetrasulfide

Structural Information

Molecular Formula
As4S4
SMILES
S1[As]2S[As]3[As]1S[As]2S3
InChI
InChI=1S/As4S4/c5-1-2-7-3(5)4(6-1)8-2
InChIKey
XPDICGYEJXYUDW-UHFFFAOYSA-N
Compound name
2,4,6,8-tetrathia-1,3,5,7-tetrarsatricyclo[3.3.0.03,7]octane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

2150
Patents

427.57465 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.58193 175.4
[M+Na]+ 450.56387 185.7
[M-H]- 426.56737 173.9
[M+NH4]+ 445.60847 204.6
[M+K]+ 466.53781 184.8
[M+H-H2O]+ 410.57191 176.9
[M+HCOO]- 472.57285 174.0
[M+CH3COO]- 486.58850 185.3
[M+Na-2H]- 448.54932 175.6
[M]+ 427.57410 183.3
[M]- 427.57520 183.3
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