CID 15158612

1h-1,2,3-benzotriazole-5-sulfonyl chloride

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.97855 140.1
[M+Na]+ 239.96049 153.7
[M-H]- 215.96399 140.9
[M+NH4]+ 235.00509 158.6
[M+K]+ 255.93443 148.5
[M+H-H2O]+ 199.96853 134.7
[M+HCOO]- 261.96947 151.8
[M+CH3COO]- 275.98512 153.6
[M+Na-2H]- 237.94594 146.9
[M]+ 216.97072 145.0
[M]- 216.97182 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe