CID 43363664

3-(1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClN2O3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)C2=NN=CO2
InChI
InChI=1S/C8H5ClN2O3S/c9-15(12,13)7-3-1-2-6(4-7)8-11-10-5-14-8/h1-5H
InChIKey
NMXJSHDIHZHVCD-UHFFFAOYSA-N
Compound name
3-(1,3,4-oxadiazol-2-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.97095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97823 146.8
[M+Na]+ 266.96017 158.9
[M-H]- 242.96367 153.0
[M+NH4]+ 262.00477 163.6
[M+K]+ 282.93411 155.8
[M+H-H2O]+ 226.96821 140.7
[M+HCOO]- 288.96915 160.4
[M+CH3COO]- 302.98480 183.0
[M+Na-2H]- 264.94562 152.2
[M]+ 243.97040 152.9
[M]- 243.97150 152.9
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

No patent data available for this compound.