CID 151811

6-hydroxybenzothiazole

Structural Information

Molecular Formula
C7H5NOS
SMILES
C1=CC2=C(C=C1O)SC=N2
InChI
InChI=1S/C7H5NOS/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
InChIKey
ORIIXCOYEOIFSN-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1540
Patents

151.00919 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01647 124.4
[M+Na]+ 173.99841 136.4
[M-H]- 150.00191 127.8
[M+NH4]+ 169.04301 147.7
[M+K]+ 189.97235 133.0
[M+H-H2O]+ 134.00645 119.6
[M+HCOO]- 196.00739 144.3
[M+CH3COO]- 210.02304 139.7
[M+Na-2H]- 171.98386 131.0
[M]+ 151.00864 127.7
[M]- 151.00974 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe