CID 223091

4,5-dichloro-2-fluoroaniline

Structural Information

Molecular Formula

C₆H₄Cl₂FN

SMILES

C1=C(C(=CC(=C1Cl)Cl)F)N

InChI

InChI=1S/C6H4Cl2FN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

InChIKey

FHJVHVKVTUTGTA-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 178.97049 Da
Monoisotopic Mass: 3.2
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]+	179.97777	128.5
[M+Na]+	201.95971	140.3
[M-H]-	177.96321	130.6
[M+NH4]+	197.00431	150.0
[M+K]+	217.93365	134.8
[M+H-H2O]+	161.96775	124.6
[M+HCOO]-	223.96869	143.7
[M+CH3COO]-	237.98434	181.2
[M+Na-2H]-	199.94516	133.6
[M]+	178.96994	128.6
[M]-	178.97104	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe