CID 178199940

2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol

Structural Information

Molecular Formula
C6H8ClNOS
SMILES
CC(C)(C1=CSC(=N1)Cl)O
InChI
InChI=1S/C6H8ClNOS/c1-6(2,9)4-3-10-5(7)8-4/h3,9H,1-2H3
InChIKey
OEEYOUQIWDFSPM-UHFFFAOYSA-N
Compound name
2-(2-chloro-1,3-thiazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.00151 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.008786 134.6
[M+Na]+ 199.990728 145.1
[M-H]- 175.994234 136.6
[M+NH4]+ 195.035333 156.5
[M+K]+ 215.964668 141.5
[M+H-H2O]+ 159.998770 130.6
[M+HCOO]- 221.999711 146.9
[M+CH3COO]- 236.015361 173.6
[M+Na-2H]- 197.976176 137.5
[M]+ 177.00096142 138.0
[M]- 177.00205858 138.0
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.