CID 61221055

2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO2S
SMILES
C1=CC(=CC(=C1)F)CC2=NC(=CS2)C(=O)O
InChI
InChI=1S/C11H8FNO2S/c12-8-3-1-2-7(4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
OBSHPOPFNXHHLX-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.02597 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03325 150.4
[M+Na]+ 260.01519 161.9
[M+NH4]+ 255.05979 157.9
[M+K]+ 275.98913 155.9
[M-H]- 236.01869 151.5
[M+Na-2H]- 258.00064 156.3
[M]+ 237.02542 152.6
[M]- 237.02652 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.