CID 135687404

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

Structural Information

Molecular Formula
C15H10FNOS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C15H10FNOS/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
JOLIFYRXVJFSNE-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04672 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05400 156.9
[M+Na]+ 294.03594 167.7
[M-H]- 270.03944 164.1
[M+NH4]+ 289.08054 174.0
[M+K]+ 310.00988 161.3
[M+H-H2O]+ 254.04398 148.8
[M+HCOO]- 316.04492 174.9
[M+CH3COO]- 330.06057 169.6
[M+Na-2H]- 292.02139 158.2
[M]+ 271.04617 157.5
[M]- 271.04727 157.5
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

No patent data available for this compound.