CID 581759

72579-01-2

Structural Information

Molecular Formula
C6H8ClNOS
SMILES
CC1=C(SC=N1)C(CCl)O
InChI
InChI=1S/C6H8ClNOS/c1-4-6(5(9)2-7)10-3-8-4/h3,5,9H,2H2,1H3
InChIKey
OOKATFCTRGAPQX-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

177.00151 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.008786 133.3
[M+Na]+ 199.990728 143.1
[M-H]- 175.994234 135.0
[M+NH4]+ 195.035333 155.0
[M+K]+ 215.964668 139.5
[M+H-H2O]+ 159.998770 128.8
[M+HCOO]- 221.999711 146.1
[M+CH3COO]- 236.015361 174.1
[M+Na-2H]- 197.976176 134.3
[M]+ 177.00096142 136.6
[M]- 177.00205858 136.6
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