CID 15158612

70938-45-3

Structural Information

Molecular Formula

C₆H₄ClN₃O₂S

SMILES

C1=CC2=NNN=C2C=C1S(=O)(=O)Cl

InChI

InChI=1S/C6H4ClN3O2S/c7-13(11,12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)

InChIKey

PSPCOCCEHDQASL-UHFFFAOYSA-N

Compound name

2H-benzotriazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 216.97127 Da
Monoisotopic Mass: 1.0
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]+	217.97855	141.2
[M+Na]+	239.96049	154.8
[M+NH4]+	235.00509	148.7
[M+K]+	255.93443	149.1
[M-H]-	215.96399	140.3
[M+Na-2H]-	237.94594	146.7
[M]+	216.97072	143.5
[M]-	216.97182	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe