CID 58268216

4-chloro-3-(1,1-difluoroethyl)aniline

Structural Information

Molecular Formula

C₈H₈ClF₂N

SMILES

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

InChI

InChI=1S/C8H8ClF2N/c1-8(10,11)6-4-5(12)2-3-7(6)9/h2-4H,12H2,1H3

InChIKey

SXYFJKQYJQOCKN-UHFFFAOYSA-N

Compound name

4-chloro-3-(1,1-difluoroethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 191.03133 Da
Monoisotopic Mass: 3.4
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]+	192.03861	134.6
[M+Na]+	214.02055	144.8
[M+NH4]+	209.06515	135.8
[M+K]+	229.99449	155.1
[M-H]-	190.02405	140.3
[M+Na-2H]-	212.00600	128.8
[M]+	191.03078	151.7
[M]-	191.03188	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe