CID 46223843

Methyl 2-bromobenzo[d]thiazole-7-carboxylate

Structural Information

Molecular Formula
C9H6BrNO2S
SMILES
COC(=O)C1=C2C(=CC=C1)N=C(S2)Br
InChI
InChI=1S/C9H6BrNO2S/c1-13-8(12)5-3-2-4-6-7(5)14-9(10)11-6/h2-4H,1H3
InChIKey
YOUDZCBOWXHOQS-UHFFFAOYSA-N
Compound name
methyl 2-bromo-1,3-benzothiazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.93027 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.93755 139.5
[M+Na]+ 293.91949 143.4
[M+NH4]+ 288.96409 144.9
[M+K]+ 309.89343 143.7
[M-H]- 269.92299 139.8
[M+Na-2H]- 291.90494 142.8
[M]+ 270.92972 139.4
[M]- 270.93082 139.4
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