CID 3017736

2,5-dihydro-5-thioxo-1h-tetrazole-1-methanesulphonic acid

Structural Information

Molecular Formula

C₂H₄N₄O₃S₂

SMILES

C(N1C(=S)N=NN1)S(=O)(=O)O

InChI

InChI=1S/C2H4N4O3S2/c7-11(8,9)1-6-2(10)3-4-5-6/h1H2,(H,3,5,10)(H,7,8,9)

InChIKey

NLDLXEAUMGUSPX-UHFFFAOYSA-N

Compound name

(5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 197
Patents: 195.97249 Da
Monoisotopic Mass: 0.2
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]+	196.979766	137.3
[M+Na]+	218.961708	149.1
[M-H]-	194.965214	134.1
[M+NH4]+	214.006313	152.6
[M+K]+	234.935648	144.3
[M+H-H2O]+	178.969750	131.8
[M+HCOO]-	240.970691	145.6
[M+CH3COO]-	254.986341	170.8
[M+Na-2H]-	216.947156	139.0
[M]+	195.97194142	138.4
[M]-	195.97303858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe