CID 16773934

5-(3-fluorobenzamido)-3-methylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C13H10FNO3S
SMILES
CC1=C(SC(=C1)NC(=O)C2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C13H10FNO3S/c1-7-5-10(19-11(7)13(17)18)15-12(16)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKey
FVCZUJLHRJCQLC-UHFFFAOYSA-N
Compound name
5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.03653 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.043806 159.5
[M+Na]+ 302.025748 167.8
[M-H]- 278.029254 164.5
[M+NH4]+ 297.070353 176.9
[M+K]+ 317.999688 163.6
[M+H-H2O]+ 262.033790 152.4
[M+HCOO]- 324.034731 177.2
[M+CH3COO]- 338.050381 196.8
[M+Na-2H]- 300.011196 158.0
[M]+ 279.03598142 160.5
[M]- 279.03707858 160.5
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.