CID 792044

37073-15-7

Structural Information

Molecular Formula

C₇H₇N₃O₂S

SMILES

CS(=O)(=O)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C7H7N3O2S/c1-13(11,12)10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3

InChIKey

OMMZSDGGKVRGGP-UHFFFAOYSA-N

Compound name

1-methylsulfonylbenzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 246
Patents: 197.0259 Da
Monoisotopic Mass: 0.8
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]+	198.03318	139.2
[M+Na]+	220.01512	152.4
[M+NH4]+	215.05972	146.6
[M+K]+	235.98906	147.1
[M-H]-	196.01862	138.7
[M+Na-2H]-	218.00057	145.0
[M]+	197.02535	141.3
[M]-	197.02645	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe