CID 68982

Carbonotrithioic acid

Structural Information

Molecular Formula

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

4
Annotation Hits: 54
References: 7876
Patents: 109.93186 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	110.939136	113.1
[M+Na]+	132.921078	121.9
[M-H]-	108.924584	113.5
[M+NH4]+	127.965683	135.7
[M+K]+	148.895018	118.0
[M+H-H2O]+	92.929120	108.6
[M+HCOO]-	154.930061	119.4
[M+CH3COO]-	168.945711	168.0
[M+Na-2H]-	130.906526	113.2
[M]+	109.93131142	113.0
[M]-	109.93240858	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe