CID 614508

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

Structural Information

Molecular Formula
C10H8ClNOS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CO)Cl
InChI
InChI=1S/C10H8ClNOS/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
InChIKey
GGAMZEDLVRNGBN-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

225.00151 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.008786 144.4
[M+Na]+ 247.990728 155.5
[M-H]- 223.994234 149.6
[M+NH4]+ 243.035333 164.4
[M+K]+ 263.964668 149.8
[M+H-H2O]+ 207.998770 139.0
[M+HCOO]- 269.999711 158.8
[M+CH3COO]- 284.015361 158.0
[M+Na-2H]- 245.976176 146.5
[M]+ 225.00096142 148.1
[M]- 225.00205858 148.1
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