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]+ 216.98331 141.6
[M+Na]+ 238.96525 155.5
[M-H]- 214.96875 144.5
[M+NH4]+ 234.00985 163.9
[M+K]+ 254.93919 151.5
[M+H-H2O]+ 198.97329 137.6
[M+HCOO]- 260.97423 155.5
[M+CH3COO]- 274.98988 156.1
[M+Na-2H]- 236.95070 142.4
[M]+ 215.97548 148.8
[M]- 215.97658 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.