CID 16771823

4-chloro-2-(2-methylfuran-3-amido)benzoic acid

Structural Information

Molecular Formula
C13H10ClNO4
SMILES
CC1=C(C=CO1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C13H10ClNO4/c1-7-9(4-5-19-7)12(16)15-11-6-8(14)2-3-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKey
KDNZOROMLOGVFT-UHFFFAOYSA-N
Compound name
4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.02985 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03713 159.9
[M+Na]+ 302.01907 168.9
[M-H]- 278.02257 167.0
[M+NH4]+ 297.06367 176.4
[M+K]+ 317.99301 165.7
[M+H-H2O]+ 262.02711 154.4
[M+HCOO]- 324.02805 178.7
[M+CH3COO]- 338.04370 196.5
[M+Na-2H]- 300.00452 161.9
[M]+ 279.02930 163.9
[M]- 279.03040 163.9
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

No patent data available for this compound.