CID 71695393

4-(1,2,3-thiadiazol-5-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClN2O2S2
SMILES
C1=CC(=CC=C1C2=CN=NS2)S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClN2O2S2/c9-15(12,13)7-3-1-6(2-4-7)8-5-10-11-14-8/h1-5H
InChIKey
BMSKDPNQFMMHCA-UHFFFAOYSA-N
Compound name
4-(thiadiazol-5-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9481 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95538 151.8
[M+Na]+ 282.93732 164.1
[M-H]- 258.94082 157.2
[M+NH4]+ 277.98192 169.5
[M+K]+ 298.91126 158.4
[M+H-H2O]+ 242.94536 146.3
[M+HCOO]- 304.94630 160.6
[M+CH3COO]- 318.96195 164.7
[M+Na-2H]- 280.92277 154.1
[M]+ 259.94755 156.7
[M]- 259.94865 156.7
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.