CID 1473815

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol

Structural Information

Molecular Formula
C15H10ClNOS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C15H10ClNOS/c16-12-5-1-10(2-6-12)14-9-19-15(17-14)11-3-7-13(18)8-4-11/h1-9,18H
InChIKey
PZKMTILXYHGUCY-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

287.01715 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02443 161.5
[M+Na]+ 310.00637 172.8
[M-H]- 286.00987 169.9
[M+NH4]+ 305.05097 178.8
[M+K]+ 325.98031 165.5
[M+H-H2O]+ 270.01441 154.9
[M+HCOO]- 332.01535 175.8
[M+CH3COO]- 346.03100 174.3
[M+Na-2H]- 307.99182 162.7
[M]+ 287.01660 165.1
[M]- 287.01770 165.1
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