CID 819053

32415-50-2

Structural Information

Molecular Formula
C5H3FO2S
SMILES
C1=C(SC=C1C(=O)O)F
InChI
InChI=1S/C5H3FO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
RPYSBJQHFDINTB-UHFFFAOYSA-N
Compound name
5-fluorothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

145.98378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.99106 123.6
[M+Na]+ 168.97300 133.3
[M-H]- 144.97650 125.6
[M+NH4]+ 164.01760 146.7
[M+K]+ 184.94694 131.3
[M+H-H2O]+ 128.98104 118.4
[M+HCOO]- 190.98198 141.9
[M+CH3COO]- 204.99763 168.4
[M+Na-2H]- 166.95845 125.2
[M]+ 145.98323 124.0
[M]- 145.98433 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe