CID 14180036

5-methoxy-1,2,3-benzothiadiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClN2O3S2
SMILES
COC1=C(C2=C(C=C1)SN=N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClN2O3S2/c1-13-4-2-3-5-6(9-10-14-5)7(4)15(8,11)12/h2-3H,1H3
InChIKey
ZIJGOIUSYDYHPY-UHFFFAOYSA-N
Compound name
5-methoxy-1,2,3-benzothiadiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

263.94302 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.950296 150.5
[M+Na]+ 286.932238 164.6
[M-H]- 262.935744 154.2
[M+NH4]+ 281.976843 169.7
[M+K]+ 302.906178 159.7
[M+H-H2O]+ 246.940280 146.3
[M+HCOO]- 308.941221 159.6
[M+CH3COO]- 322.956871 187.4
[M+Na-2H]- 284.917686 154.9
[M]+ 263.94247142 159.7
[M]- 263.94356858 159.7
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

patents stripe