CID 2726647

(4-(4-chlorophenyl)thiazol-2-yl)methanol

Structural Information

Molecular Formula
C10H8ClNOS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)CO)Cl
InChI
InChI=1S/C10H8ClNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-4,6,13H,5H2
InChIKey
UICGABWUJKMBEN-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.00151 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00879 144.4
[M+Na]+ 247.99073 155.5
[M-H]- 223.99423 149.6
[M+NH4]+ 243.03533 164.4
[M+K]+ 263.96467 149.8
[M+H-H2O]+ 207.99877 139.0
[M+HCOO]- 269.99971 158.8
[M+CH3COO]- 284.01536 158.0
[M+Na-2H]- 245.97618 146.5
[M]+ 225.00096 148.1
[M]- 225.00206 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