CID 95754

6265-93-6

Structural Information

Molecular Formula
C14H11NO2S
SMILES
COC1=CC=CC(=C1O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NO2S/c1-17-11-7-4-5-9(13(11)16)14-15-10-6-2-3-8-12(10)18-14/h2-8,16H,1H3
InChIKey
CKFLKUKQCSXXBI-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

32
Patents

257.05106 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 154.0
[M+Na]+ 280.04028 165.9
[M-H]- 256.04378 160.7
[M+NH4]+ 275.08488 173.1
[M+K]+ 296.01422 160.7
[M+H-H2O]+ 240.04832 147.7
[M+HCOO]- 302.04926 173.3
[M+CH3COO]- 316.06491 167.7
[M+Na-2H]- 278.02573 158.2
[M]+ 257.05051 159.4
[M]- 257.05161 159.5
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