CID 170992513

4-chloro-5-fluoro-3-methylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H4ClFO2S
SMILES
CC1=C(SC(=C1Cl)F)C(=O)O
InChI
InChI=1S/C6H4ClFO2S/c1-2-3(7)5(8)11-4(2)6(9)10/h1H3,(H,9,10)
InChIKey
SCQGXMARWSPFKC-UHFFFAOYSA-N
Compound name
4-chloro-5-fluoro-3-methylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.96045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96773 132.0
[M+Na]+ 216.94967 143.7
[M-H]- 192.95317 134.5
[M+NH4]+ 211.99427 154.7
[M+K]+ 232.92361 139.5
[M+H-H2O]+ 176.95771 128.2
[M+HCOO]- 238.95865 145.4
[M+CH3COO]- 252.97430 177.6
[M+Na-2H]- 214.93512 131.7
[M]+ 193.95990 135.3
[M]- 193.96100 135.3
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.