CID 135616172

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2024
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 133.6
[M+Na]+ 200.01406 143.7
[M-H]- 176.01756 138.8
[M+NH4]+ 195.05866 154.4
[M+K]+ 215.98800 139.9
[M+H-H2O]+ 160.02210 127.6
[M+HCOO]- 222.02304 153.0
[M+CH3COO]- 236.03869 147.8
[M+Na-2H]- 197.99951 137.3
[M]+ 177.02429 134.7
[M]- 177.02539 134.7
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