CID 137951884

2193066-77-0

Structural Information

Molecular Formula

C₄H₇ClN₄O₂S

SMILES

C1=NN=NN1CCCS(=O)(=O)Cl

InChI

InChI=1S/C4H7ClN4O2S/c5-12(10,11)3-1-2-9-4-6-7-8-9/h4H,1-3H2

InChIKey

VNRWYQNOZMNHAY-UHFFFAOYSA-N

Compound name

3-(tetrazol-1-yl)propane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.99782 Da
Monoisotopic Mass: 0.0
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]+	211.00510	140.1
[M+Na]+	232.98704	151.3
[M-H]-	208.99054	139.1
[M+NH4]+	228.03164	156.7
[M+K]+	248.96098	148.3
[M+H-H2O]+	192.99508	133.0
[M+HCOO]-	254.99602	151.0
[M+CH3COO]-	269.01167	178.1
[M+Na-2H]-	230.97249	144.4
[M]+	209.99727	145.2
[M]-	209.99837	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe