CID 59320599

1217304-18-1

Structural Information

Molecular Formula

C₇H₄F₄N₂O₂

SMILES

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

InChI

InChI=1S/C7H4F4N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2

InChIKey

LFJROXCNNAAYME-UHFFFAOYSA-N

Compound name

2-fluoro-6-nitro-4-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 224.02089 Da
Monoisotopic Mass: 2.6
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]+	225.02817	135.5
[M+Na]+	247.01011	145.3
[M-H]-	223.01361	134.6
[M+NH4]+	242.05471	152.9
[M+K]+	262.98405	138.4
[M+H-H2O]+	207.01815	131.6
[M+HCOO]-	269.01909	156.5
[M+CH3COO]-	283.03474	184.7
[M+Na-2H]-	244.99556	141.8
[M]+	224.02034	127.7
[M]-	224.02144	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe