CID 23498081

622369-70-4

Structural Information

Molecular Formula

C₁₀H₄ClFN₂

SMILES

C1=CC2=C(C(=CN=C2C=C1F)C#N)Cl

InChI

InChI=1S/C10H4ClFN2/c11-10-6(4-13)5-14-9-3-7(12)1-2-8(9)10/h1-3,5H

InChIKey

GLDPOBFSPURDRC-UHFFFAOYSA-N

Compound name

4-chloro-7-fluoroquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 206.0047 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]+	207.01198	140.0
[M+Na]+	228.99392	155.3
[M+NH4]+	224.03852	145.9
[M+K]+	244.96786	143.8
[M-H]-	204.99742	134.5
[M+Na-2H]-	226.97937	145.2
[M]+	206.00415	140.2
[M]-	206.00525	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe