CID 137943638

2287322-45-4

Structural Information

Molecular Formula
C8H5ClN2O2S2
SMILES
C1=CC=C(C=C1)C2=C(N=NS2)S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClN2O2S2/c9-15(12,13)8-7(14-11-10-8)6-4-2-1-3-5-6/h1-5H
InChIKey
FIVQNRFMBWTADJ-UHFFFAOYSA-N
Compound name
5-phenylthiadiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9481 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95538 153.5
[M+Na]+ 282.93732 166.8
[M+NH4]+ 277.98192 161.9
[M+K]+ 298.91126 158.4
[M-H]- 258.94082 155.6
[M+Na-2H]- 280.92277 160.2
[M]+ 259.94755 157.2
[M]- 259.94865 157.2
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.