CID 3017998

70216-96-5

Structural Information

Molecular Formula
C13H9NO2S
SMILES
C1=CC=C2C(=C1)N=C(S2)OC3=CC=CC=C3O
InChI
InChI=1S/C13H9NO2S/c15-10-6-2-3-7-11(10)16-13-14-9-5-1-4-8-12(9)17-13/h1-8,15H
InChIKey
MZODOBBOQXPSNU-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yloxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

243.0354 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.042676 149.3
[M+Na]+ 266.024618 160.9
[M-H]- 242.028124 155.8
[M+NH4]+ 261.069223 168.6
[M+K]+ 281.998558 155.9
[M+H-H2O]+ 226.032660 143.0
[M+HCOO]- 288.033601 169.0
[M+CH3COO]- 302.049251 163.1
[M+Na-2H]- 264.010066 154.7
[M]+ 243.03485142 154.0
[M]- 243.03594858 154.0
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