CID 57284827

3-(1,3-thiazol-2-yl)phenol

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CC(=CC(=C1)O)C2=NC=CS2
InChI
InChI=1S/C9H7NOS/c11-8-3-1-2-7(6-8)9-10-4-5-12-9/h1-6,11H
InChIKey
FSOFDTPOJDKPQV-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

177.02484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 134.5
[M+Na]+ 200.01406 148.1
[M+NH4]+ 195.05866 144.3
[M+K]+ 215.98800 141.0
[M-H]- 176.01756 138.3
[M+Na-2H]- 197.99951 142.9
[M]+ 177.02429 138.0
[M]- 177.02539 138.0
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

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