CID 34478

Brn 1000507

Structural Information

Molecular Formula
C10H9ClN2O3S
SMILES
CCOC(=O)COC1=C(C2=C(C=C1)SN=N2)Cl
InChI
InChI=1S/C10H9ClN2O3S/c1-2-15-8(14)5-16-6-3-4-7-10(9(6)11)12-13-17-7/h3-4H,2,5H2,1H3
InChIKey
BZMYNQUTKITCAA-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chloro-1,2,3-benzothiadiazol-5-yl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.00223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.009506 153.9
[M+Na]+ 294.991448 165.9
[M-H]- 270.994954 157.0
[M+NH4]+ 290.036053 172.4
[M+K]+ 310.965388 162.0
[M+H-H2O]+ 254.999490 148.0
[M+HCOO]- 317.000431 167.8
[M+CH3COO]- 331.016081 192.0
[M+Na-2H]- 292.976896 157.2
[M]+ 272.00168142 164.0
[M]- 272.00277858 164.0
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.