CID 99713677

Ethyl 5-amino-4-fluoro-2-methylbenzoate

Structural Information

Molecular Formula

C₁₀H₁₂FNO₂

SMILES

CCOC(=O)C1=CC(=C(C=C1C)F)N

InChI

InChI=1S/C10H12FNO2/c1-3-14-10(13)7-5-9(12)8(11)4-6(7)2/h4-5H,3,12H2,1-2H3

InChIKey

ZFPJZHDFUMVWEZ-UHFFFAOYSA-N

Compound name

ethyl 5-amino-4-fluoro-2-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.0852 Da
Monoisotopic Mass: 1.9
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]+	198.092476	140.3
[M+Na]+	220.074418	149.3
[M-H]-	196.077924	142.9
[M+NH4]+	215.119023	159.8
[M+K]+	236.048358	147.3
[M+H-H2O]+	180.082460	133.7
[M+HCOO]-	242.083401	163.5
[M+CH3COO]-	256.099051	188.1
[M+Na-2H]-	218.059866	143.2
[M]+	197.08465142	140.3
[M]-	197.08574858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe