CID 75480669

1461715-74-1

Structural Information

Molecular Formula
C6H6FNO2S
SMILES
CC1=CSC(=N1)C(C(=O)O)F
InChI
InChI=1S/C6H6FNO2S/c1-3-2-11-5(8-3)4(7)6(9)10/h2,4H,1H3,(H,9,10)
InChIKey
PQOXKGROOLYDTI-UHFFFAOYSA-N
Compound name
2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.01033 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.017606 132.1
[M+Na]+ 197.999548 141.1
[M-H]- 174.003054 132.5
[M+NH4]+ 193.044153 152.7
[M+K]+ 213.973488 139.3
[M+H-H2O]+ 158.007590 125.9
[M+HCOO]- 220.008531 147.8
[M+CH3COO]- 234.024181 174.9
[M+Na-2H]- 195.984996 132.0
[M]+ 175.00978142 132.8
[M]- 175.01087858 132.8
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.