CID 2774000

3,5-dichloro-2,4-difluoroaniline

Structural Information

Molecular Formula

C₆H₃Cl₂F₂N

SMILES

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

InChI

InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2

InChIKey

KLECNQGLBJHVSH-UHFFFAOYSA-N

Compound name

3,5-dichloro-2,4-difluoroaniline

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 84
Patents: 196.96106 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]+	197.96834	130.0
[M+Na]+	219.95028	142.7
[M-H]-	195.95378	131.0
[M+NH4]+	214.99488	151.0
[M+K]+	235.92422	136.8
[M+H-H2O]+	179.95832	125.4
[M+HCOO]-	241.95926	144.2
[M+CH3COO]-	255.97491	185.1
[M+Na-2H]-	217.93573	133.9
[M]+	196.96051	129.4
[M]-	196.96161	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe