CID 12609214

75608-07-0

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]+ 152.016466 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

literature stripe

Patent stripe

patents stripe