CID 853337

15182-68-0

Structural Information

Molecular Formula

C₉H₁₀N₄OS

SMILES

CCOC1=CC=C(C=C1)N2C(=S)N=NN2

InChI

InChI=1S/C9H10N4OS/c1-2-14-8-5-3-7(4-6-8)13-9(15)10-11-12-13/h3-6H,2H2,1H3,(H,10,12,15)

InChIKey

ASFXKDBHBVHSLT-UHFFFAOYSA-N

Compound name

1-(4-ethoxyphenyl)-2H-tetrazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 222.05753 Da
Monoisotopic Mass: 3.2
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]+	223.06481	147.5
[M+Na]+	245.04675	160.8
[M+NH4]+	240.09135	154.4
[M+K]+	261.02069	154.5
[M-H]-	221.05025	148.5
[M+Na-2H]-	243.03220	154.0
[M]+	222.05698	150.0
[M]-	222.05808	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe