CID 12609214

Benzo[d]isothiazol-5-ol

Structural Information

Molecular Formula
C7H5NOS
SMILES
C1=CC2=C(C=C1O)C=NS2
InChI
InChI=1S/C7H5NOS/c9-6-1-2-7-5(3-6)4-8-10-7/h1-4,9H
InChIKey
RNSIPMSFQFTSTD-UHFFFAOYSA-N
Compound name
1,2-benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

151.00919 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01647 125.4
[M+Na]+ 173.99841 139.3
[M+NH4]+ 169.04301 135.7
[M+K]+ 189.97235 132.4
[M-H]- 150.00191 127.8
[M+Na-2H]- 171.98386 132.5
[M]+ 151.00864 128.6
[M]- 151.00974 128.6
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