CID 71743051

1314709-94-8

Structural Information

Molecular Formula

C₁₀H₇BrFN

SMILES

C1CC1(C#N)C2=CC(=CC(=C2)Br)F

InChI

InChI=1S/C10H7BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2

InChIKey

WBZLQZLPTLUQKG-UHFFFAOYSA-N

Compound name

1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 238.9746 Da
Monoisotopic Mass: 2.7
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]+	239.98188	139.9
[M+Na]+	261.96382	160.2
[M-H]-	237.96732	149.0
[M+NH4]+	257.00842	158.5
[M+K]+	277.93776	145.1
[M+H-H2O]+	221.97186	135.7
[M+HCOO]-	283.97280	161.5
[M+CH3COO]-	297.98845	202.3
[M+Na-2H]-	259.94927	149.0
[M]+	238.97405	154.3
[M]-	238.97515	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe