CID 1268121

Trithiocyanuric acid

Structural Information

Molecular Formula

C₃H₃N₃S₃

SMILES

C1(=S)NC(=S)NC(=S)N1

InChI

InChI=1S/C3H3N3S3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

InChIKey

WZRRRFSJFQTGGB-UHFFFAOYSA-N

Compound name

1,3,5-triazinane-2,4,6-trithione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 26
References: 12727
Patents: 176.94891 Da
Monoisotopic Mass: 0.6
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]+	177.95619	126.1
[M+Na]+	199.93813	137.8
[M-H]-	175.94163	121.9
[M+NH4]+	194.98273	141.1
[M+K]+	215.91207	127.2
[M+H-H2O]+	159.94617	121.4
[M+HCOO]-	221.94711	127.8
[M+CH3COO]-	235.96276	136.6
[M+Na-2H]-	197.92358	126.5
[M]+	176.94836	120.6
[M]-	176.94946	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe