CID 68982

Sodium trithiocarbonate

Structural Information

Molecular Formula
CH2S3
SMILES
C(=S)(S)S
InChI
InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
InChIKey
HIZCIEIDIFGZSS-UHFFFAOYSA-N
Compound name
carbonotrithioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

54
References

6807
Patents

109.93186 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.93914 113.1
[M+Na]+ 132.92108 121.9
[M-H]- 108.92458 113.5
[M+NH4]+ 127.96568 135.7
[M+K]+ 148.89502 118.0
[M+H-H2O]+ 92.929120 108.6
[M+HCOO]- 154.93006 119.4
[M+CH3COO]- 168.94571 168.0
[M+Na-2H]- 130.90653 113.2
[M]+ 109.93131 113.0
[M]- 109.93241 113.0
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