CID 18535345

2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H6FNO2S
SMILES
C1=CC=C(C(=C1)C2=NC=C(S2)C(=O)O)F
InChI
InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)
InChIKey
XXKQUDUROIXGAP-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

223.01033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01761 146.0
[M+Na]+ 245.99955 157.7
[M+NH4]+ 241.04415 153.7
[M+K]+ 261.97349 151.9
[M-H]- 222.00305 147.1
[M+Na-2H]- 243.98500 152.1
[M]+ 223.00978 148.2
[M]- 223.01088 148.2
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