CID 138106306

2306260-73-9

Structural Information

Molecular Formula

C₁₄H₁₆FNO₄

SMILES

CC(C)(C)OC(=O)N1C(CC2=C1C=CC(=C2)F)C(=O)O

InChI

InChI=1S/C14H16FNO4/c1-14(2,3)20-13(19)16-10-5-4-9(15)6-8(10)7-11(16)12(17)18/h4-6,11H,7H2,1-3H3,(H,17,18)

InChIKey

FAAYVGDSPJWWRA-UHFFFAOYSA-N

Compound name

5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 281.10632 Da
Monoisotopic Mass: 2.4
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]+	282.113596	162.3
[M+Na]+	304.095538	170.5
[M-H]-	280.099044	163.4
[M+NH4]+	299.140143	179.6
[M+K]+	320.069478	168.3
[M+H-H2O]+	264.103580	156.2
[M+HCOO]-	326.104521	178.2
[M+CH3COO]-	340.120171	197.1
[M+Na-2H]-	302.080986	163.5
[M]+	281.10577142	163.3
[M]-	281.10686858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe