CID 15089709

19989-67-4

Structural Information

Molecular Formula
C8H5NOS
SMILES
C1=CC2=C(C=C1C=O)SC=N2
InChI
InChI=1S/C8H5NOS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H
InChIKey
AVSFPLJXSHRMHM-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

163.00919 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01647 128.1
[M+Na]+ 185.99841 140.4
[M-H]- 162.00191 132.8
[M+NH4]+ 181.04301 151.6
[M+K]+ 201.97235 137.1
[M+H-H2O]+ 146.00645 122.9
[M+HCOO]- 208.00739 149.4
[M+CH3COO]- 222.02304 143.7
[M+Na-2H]- 183.98386 134.5
[M]+ 163.00864 132.9
[M]- 163.00974 132.9
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