CID 24279095

1017385-07-7

Structural Information

Molecular Formula
C11H7F2NO2S
SMILES
CC1=C(N=C(S1)C2=C(C=CC=C2F)F)C(=O)O
InChI
InChI=1S/C11H7F2NO2S/c1-5-9(11(15)16)14-10(17-5)8-6(12)3-2-4-7(8)13/h2-4H,1H3,(H,15,16)
InChIKey
FYGHUISDHQDYLM-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

255.01656 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02384 155.9
[M+Na]+ 278.00578 166.8
[M+NH4]+ 273.05038 162.4
[M+K]+ 293.97972 161.3
[M-H]- 254.00928 155.4
[M+Na-2H]- 275.99123 160.2
[M]+ 255.01601 157.5
[M]- 255.01711 157.5
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