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]+ 273.00951 153.9
[M+Na]+ 294.99145 165.9
[M-H]- 270.99495 157.0
[M+NH4]+ 290.03605 172.4
[M+K]+ 310.96539 162.0
[M+H-H2O]+ 254.99949 148.0
[M+HCOO]- 317.00043 167.8
[M+CH3COO]- 331.01608 192.0
[M+Na-2H]- 292.97690 157.2
[M]+ 272.00168 164.0
[M]- 272.00278 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.