CID 118841667

1-bromo-5-ethyl-3-fluoro-2-nitrobenzene

Structural Information

Molecular Formula

C₈H₇BrFNO₂

SMILES

CCC1=CC(=C(C(=C1)Br)[N+](=O)[O-])F

InChI

InChI=1S/C8H7BrFNO2/c1-2-5-3-6(9)8(11(12)13)7(10)4-5/h3-4H,2H2,1H3

InChIKey

GFVNAYRTGOPOLV-UHFFFAOYSA-N

Compound name

1-bromo-5-ethyl-3-fluoro-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 246.96442 Da
Monoisotopic Mass: 3.3
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]+	247.97170	146.0
[M+Na]+	269.95364	150.1
[M+NH4]+	264.99824	150.5
[M+K]+	285.92758	151.8
[M-H]-	245.95714	146.8
[M+Na-2H]-	267.93909	148.7
[M]+	246.96387	145.6
[M]-	246.96497	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe