CID 13470957

2-fluoro-3-nitrotoluene

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])F

InChI

InChI=1S/C7H6FNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3

InChIKey

NBCNUIXYBLFJMI-UHFFFAOYSA-N

Compound name

2-fluoro-1-methyl-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 572
Patents: 155.03825 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]+	156.04553	125.1
[M+Na]+	178.02747	138.8
[M+NH4]+	173.07207	133.7
[M+K]+	194.00141	135.3
[M-H]-	154.03097	127.6
[M+Na-2H]-	176.01292	132.1
[M]+	155.03770	127.6
[M]-	155.03880	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe