CID 2434895

1613051-32-3

Structural Information

Molecular Formula
C8H5ClN2O2S
SMILES
C1=CSC2=NC(=C(N21)/C=C/C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2S/c9-7-5(1-2-6(12)13)11-3-4-14-8(11)10-7/h1-4H,(H,12,13)/b2-1+
InChIKey
ZBYRHXXVGNUDRH-OWOJBTEDSA-N
Compound name
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

227.97603 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98331 146.2
[M+Na]+ 250.96525 159.2
[M-H]- 226.96875 148.6
[M+NH4]+ 246.00985 167.7
[M+K]+ 266.93919 154.4
[M+H-H2O]+ 210.97329 141.7
[M+HCOO]- 272.97423 160.0
[M+CH3COO]- 286.98988 160.0
[M+Na-2H]- 248.95070 147.1
[M]+ 227.97548 152.6
[M]- 227.97658 152.6
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