CID 225627

2-acetamido-9-fluorenyl acetate

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2OC(=O)C

InChI

InChI=1S/C17H15NO3/c1-10(19)18-12-7-8-14-13-5-3-4-6-15(13)17(16(14)9-12)21-11(2)20/h3-9,17H,1-2H3,(H,18,19)

InChIKey

WOIUBMJAWAWJMB-UHFFFAOYSA-N

Compound name

(2-acetamido-9H-fluoren-9-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 281.1052 Da
Monoisotopic Mass: 2.2
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]+	282.112476	163.5
[M+Na]+	304.094418	171.7
[M-H]-	280.097924	169.4
[M+NH4]+	299.139023	183.2
[M+K]+	320.068358	168.1
[M+H-H2O]+	264.102460	157.2
[M+HCOO]-	326.103401	185.7
[M+CH3COO]-	340.119051	203.8
[M+Na-2H]-	302.079866	167.1
[M]+	281.10465142	166.4
[M]-	281.10574858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe