CID 15076951

3-azidobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H4ClN3O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)N=[N+]=[N-]
InChI
InChI=1S/C6H4ClN3O2S/c7-13(11,12)6-3-1-2-5(4-6)9-10-8/h1-4H
InChIKey
NTYLHPFZQYUHHK-UHFFFAOYSA-N
Compound name
3-azidobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.97127 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.97855 140.5
[M+Na]+ 239.96049 149.5
[M-H]- 215.96399 147.2
[M+NH4]+ 235.00509 160.1
[M+K]+ 255.93443 141.2
[M+H-H2O]+ 199.96853 139.5
[M+HCOO]- 261.96947 161.7
[M+CH3COO]- 275.98512 183.3
[M+Na-2H]- 237.94594 149.9
[M]+ 216.97072 141.7
[M]- 216.97182 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.