CID 58870346

6-bromobenzo[d]thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C8H4BrNOS
SMILES
C1=CC2=C(C=C1Br)SC(=N2)C=O
InChI
InChI=1S/C8H4BrNOS/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-4H
InChIKey
KAVAAQYEODWJQX-UHFFFAOYSA-N
Compound name
6-bromo-1,3-benzothiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.9197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.92698 132.8
[M+Na]+ 263.90892 137.7
[M+NH4]+ 258.95352 138.9
[M+K]+ 279.88286 136.9
[M-H]- 239.91242 133.7
[M+Na-2H]- 261.89437 137.0
[M]+ 240.91915 133.1
[M]- 240.92025 133.1
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