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

91
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 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

No literature data available for this compound.

Patent stripe

patents stripe