CID 10353967

454-15-9

Structural Information

Molecular Formula

C₇H₅BrFNO₂

SMILES

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

InChI

InChI=1S/C7H5BrFNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2

InChIKey

KQAKOKGCKNKARC-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1-fluoro-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 232.94878 Da
Monoisotopic Mass: 2.4
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]+	233.95606	141.6
[M+Na]+	255.93800	145.5
[M+NH4]+	250.98260	146.3
[M+K]+	271.91194	147.4
[M-H]-	231.94150	142.4
[M+Na-2H]-	253.92345	144.8
[M]+	232.94823	141.1
[M]-	232.94933	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe