CID 332992

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol

Structural Information

Molecular Formula
C6H5ClN2OS
SMILES
C1=CSC2=NC(=C(N21)CO)Cl
InChI
InChI=1S/C6H5ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-2,10H,3H2
InChIKey
PWHRIJYPBNUZLZ-UHFFFAOYSA-N
Compound name
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

187.98111 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98839 134.3
[M+Na]+ 210.97033 148.2
[M-H]- 186.97383 136.8
[M+NH4]+ 206.01493 157.7
[M+K]+ 226.94427 144.0
[M+H-H2O]+ 170.97837 130.0
[M+HCOO]- 232.97931 149.2
[M+CH3COO]- 246.99496 149.2
[M+Na-2H]- 208.95578 137.1
[M]+ 187.98056 140.6
[M]- 187.98166 140.6
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