CID 23289256

163298-73-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

151.00919 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.016466 124.4
[M+Na]+ 173.998408 136.4
[M-H]- 150.001914 127.8
[M+NH4]+ 169.043013 147.7
[M+K]+ 189.972348 133.0
[M+H-H2O]+ 134.006450 119.6
[M+HCOO]- 196.007391 144.3
[M+CH3COO]- 210.023041 139.7
[M+Na-2H]- 171.983856 131.0
[M]+ 151.00864142 127.7
[M]- 151.00973858 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

No literature data available for this compound.

Patent stripe

patents stripe