CID 55279547

1033464-75-3

Structural Information

Molecular Formula

C₇H₆ClN₃O₂S

SMILES

CN1N=C2C=CC=C(C2=N1)S(=O)(=O)Cl

InChI

InChI=1S/C7H6ClN3O2S/c1-11-9-5-3-2-4-6(7(5)10-11)14(8,12)13/h2-4H,1H3

InChIKey

QZQHYAJAYCBGFU-UHFFFAOYSA-N

Compound name

2-methylbenzotriazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.98692 Da
Monoisotopic Mass: 1.7
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]+	231.99420	146.1
[M+Na]+	253.97614	160.4
[M+NH4]+	249.02074	153.7
[M+K]+	269.95008	154.3
[M-H]-	229.97964	145.7
[M+Na-2H]-	251.96159	151.7
[M]+	230.98637	148.7
[M]-	230.98747	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe