CID 3034971

63684-99-1

Structural Information

Molecular Formula

C₇H₄Cl₂N₄S

SMILES

C1=CC(=C(C=C1N2C(=S)N=NN2)Cl)Cl

InChI

InChI=1S/C7H4Cl2N4S/c8-5-2-1-4(3-6(5)9)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)

InChIKey

CAFFRONNGPFZKV-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-2H-tetrazole-5-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 148
Patents: 245.95337 Da
Monoisotopic Mass: 4.1
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]+	246.96065	145.4
[M+Na]+	268.94259	158.9
[M-H]-	244.94609	146.3
[M+NH4]+	263.98719	160.9
[M+K]+	284.91653	151.7
[M+H-H2O]+	228.95063	138.3
[M+HCOO]-	290.95157	151.2
[M+CH3COO]-	304.96722	157.5
[M+Na-2H]-	266.92804	146.7
[M]+	245.95282	147.9
[M]-	245.95392	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe