CID 7098705

2-fluorothiophene-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

No literature data available for this compound.

Patent stripe

patents stripe