CID 84016006

1784002-34-1

Structural Information

Molecular Formula
C7H5ClN2O2S
SMILES
CC1=CN2C(=C(N=C2S1)Cl)C(=O)O
InChI
InChI=1S/C7H5ClN2O2S/c1-3-2-10-4(6(11)12)5(8)9-7(10)13-3/h2H,1H3,(H,11,12)
InChIKey
LTFWTXWGHYGHEH-UHFFFAOYSA-N
Compound name
6-chloro-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97603 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.983306 141.6
[M+Na]+ 238.965248 155.5
[M-H]- 214.968754 144.5
[M+NH4]+ 234.009853 163.9
[M+K]+ 254.939188 151.5
[M+H-H2O]+ 198.973290 137.6
[M+HCOO]- 260.974231 155.5
[M+CH3COO]- 274.989881 156.1
[M+Na-2H]- 236.950696 142.4
[M]+ 215.97548142 148.8
[M]- 215.97657858 148.8
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.