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]+ 264.95030 150.5
[M+Na]+ 286.93224 164.6
[M-H]- 262.93574 154.2
[M+NH4]+ 281.97684 169.7
[M+K]+ 302.90618 159.7
[M+H-H2O]+ 246.94028 146.3
[M+HCOO]- 308.94122 159.6
[M+CH3COO]- 322.95687 187.4
[M+Na-2H]- 284.91769 154.9
[M]+ 263.94247 159.7
[M]- 263.94357 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