CID 16767687

926193-45-5

Structural Information

Molecular Formula
C12H10FNO3S
SMILES
CC1=C(N(C(=O)S1)CC(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H10FNO3S/c1-7-11(8-2-4-9(13)5-3-8)14(6-10(15)16)12(17)18-7/h2-5H,6H2,1H3,(H,15,16)
InChIKey
MHXPSNXFUDNDPF-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03653 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04381 154.3
[M+Na]+ 290.02575 165.3
[M-H]- 266.02925 158.7
[M+NH4]+ 285.07035 171.7
[M+K]+ 305.99969 160.7
[M+H-H2O]+ 250.03379 147.3
[M+HCOO]- 312.03473 171.2
[M+CH3COO]- 326.05038 192.5
[M+Na-2H]- 288.01120 153.1
[M]+ 267.03598 157.4
[M]- 267.03708 157.4
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.