CID 126749963

4-chloro-5-fluorothiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H2ClFO2S
SMILES
C1=C(C(=C(S1)F)Cl)C(=O)O
InChI
InChI=1S/C5H2ClFO2S/c6-3-2(5(8)9)1-10-4(3)7/h1H,(H,8,9)
InChIKey
CFGGLDDFVGNYFD-UHFFFAOYSA-N
Compound name
4-chloro-5-fluorothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.94481 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.95209 128.3
[M+Na]+ 202.93403 139.5
[M-H]- 178.93753 130.6
[M+NH4]+ 197.97863 151.2
[M+K]+ 218.90797 135.6
[M+H-H2O]+ 162.94207 124.3
[M+HCOO]- 224.94301 142.1
[M+CH3COO]- 238.95866 173.4
[M+Na-2H]- 200.91948 129.0
[M]+ 179.94426 130.9
[M]- 179.94536 130.9
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