CID 2783384

7-fluoro-benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid hydrate

Structural Information

Molecular Formula
C10H5FN2O2S
SMILES
C1=CC2=C(C=C1F)SC3=NC(=CN23)C(=O)O
InChI
InChI=1S/C10H5FN2O2S/c11-5-1-2-7-8(3-5)16-10-12-6(9(14)15)4-13(7)10/h1-4H,(H,14,15)
InChIKey
WLWVJQBLVPCFAH-UHFFFAOYSA-N
Compound name
6-fluoroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.00557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01285 144.9
[M+Na]+ 258.99479 159.5
[M-H]- 234.99829 147.8
[M+NH4]+ 254.03939 166.6
[M+K]+ 274.96873 155.1
[M+H-H2O]+ 219.00283 139.4
[M+HCOO]- 281.00377 163.0
[M+CH3COO]- 295.01942 159.4
[M+Na-2H]- 256.98024 148.2
[M]+ 236.00502 151.2
[M]- 236.00612 151.2
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

patents stripe