CID 12099947

2-fluoro-4-methyl-5-nitroaniline

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

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

InChI

InChI=1S/C7H7FN2O2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,9H2,1H3

InChIKey

OUNUNDAIKLDJAY-UHFFFAOYSA-N

Compound name

2-fluoro-4-methyl-5-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 170.04915 Da
Monoisotopic Mass: 1.5
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]+	171.05643	129.0
[M+Na]+	193.03837	138.1
[M-H]-	169.04187	131.9
[M+NH4]+	188.08297	148.7
[M+K]+	209.01231	132.1
[M+H-H2O]+	153.04641	127.4
[M+HCOO]-	215.04735	154.8
[M+CH3COO]-	229.06300	176.6
[M+Na-2H]-	191.02382	135.8
[M]+	170.04860	125.4
[M]-	170.04970	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe