CID 10866566

4-nitrobenzylfluoride

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CF)[N+](=O)[O-]

InChI

InChI=1S/C7H6FNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChIKey

CJFHTFLZNPFBKF-UHFFFAOYSA-N

Compound name

1-(fluoromethyl)-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 155.03825 Da
Monoisotopic Mass: 2.3
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]+	156.04553	125.1
[M+Na]+	178.02747	138.5
[M+NH4]+	173.07207	133.7
[M+K]+	194.00141	134.7
[M-H]-	154.03097	127.5
[M+Na-2H]-	176.01292	132.4
[M]+	155.03770	127.5
[M]-	155.03880	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe