CID 18535345

500605-08-3

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 143.2
[M+Na]+ 245.99955 153.3
[M-H]- 222.00305 147.2
[M+NH4]+ 241.04415 162.0
[M+K]+ 261.97349 149.3
[M+H-H2O]+ 206.00759 136.1
[M+HCOO]- 268.00853 160.5
[M+CH3COO]- 282.02418 182.7
[M+Na-2H]- 243.98500 144.2
[M]+ 223.00978 144.1
[M]- 223.01088 144.1
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