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]+ 280.04381 159.5
[M+Na]+ 302.02575 167.8
[M-H]- 278.02925 164.5
[M+NH4]+ 297.07035 176.9
[M+K]+ 317.99969 163.6
[M+H-H2O]+ 262.03379 152.4
[M+HCOO]- 324.03473 177.2
[M+CH3COO]- 338.05038 196.8
[M+Na-2H]- 300.01120 158.0
[M]+ 279.03598 160.5
[M]- 279.03708 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.