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]+ 176.01761 132.1
[M+Na]+ 197.99955 141.1
[M-H]- 174.00305 132.5
[M+NH4]+ 193.04415 152.7
[M+K]+ 213.97349 139.3
[M+H-H2O]+ 158.00759 125.9
[M+HCOO]- 220.00853 147.8
[M+CH3COO]- 234.02418 174.9
[M+Na-2H]- 195.98500 132.0
[M]+ 175.00978 132.8
[M]- 175.01088 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.