CID 9581552

3-bromo-4-fluorobenzamidoxime

Structural Information

Molecular Formula

C₇H₆BrFN₂O

SMILES

C1=CC(=C(C=C1/C(=N/O)/N)Br)F

InChI

InChI=1S/C7H6BrFN2O/c8-5-3-4(7(10)11-12)1-2-6(5)9/h1-3,12H,(H2,10,11)

InChIKey

VDRMGMVSAHIQPD-UHFFFAOYSA-N

Compound name

3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 231.96475 Da
Monoisotopic Mass: 1.8
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]+	232.97203	139.5
[M+Na]+	254.95397	150.7
[M-H]-	230.95747	144.4
[M+NH4]+	249.99857	160.2
[M+K]+	270.92791	139.0
[M+H-H2O]+	214.96201	137.6
[M+HCOO]-	276.96295	161.6
[M+CH3COO]-	290.97860	190.7
[M+Na-2H]-	252.93942	145.6
[M]+	231.96420	154.2
[M]-	231.96530	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe