CID 11001318

Tafamidis

Structural Information

Molecular Formula

C₁₄H₇Cl₂NO₃

SMILES

C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)

InChIKey

TXEIIPDJKFWEEC-UHFFFAOYSA-N

Compound name

2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 309
References: 1087
Patents: 306.9803 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.98758	162.4
[M+Na]+	329.96952	175.6
[M-H]-	305.97302	168.9
[M+NH4]+	325.01412	178.6
[M+K]+	345.94346	169.9
[M+H-H2O]+	289.97756	156.7
[M+HCOO]-	351.97850	175.0
[M+CH3COO]-	365.99415	175.5
[M+Na-2H]-	327.95497	166.7
[M]+	306.97975	169.8
[M]-	306.98085	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe