CID 72214386

1378866-69-3

Structural Information

Molecular Formula

C₈H₈BrF₂N

SMILES

C1=CC(=CC=C1C(CN)(F)F)Br

InChI

InChI=1S/C8H8BrF2N/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-4H,5,12H2

InChIKey

ARQYKMXMQFUESA-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-2,2-difluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 234.98082 Da
Monoisotopic Mass: 2.1
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]+	235.98810	143.8
[M+Na]+	257.97004	155.2
[M-H]-	233.97354	147.2
[M+NH4]+	253.01464	164.7
[M+K]+	273.94398	143.2
[M+H-H2O]+	217.97808	142.2
[M+HCOO]-	279.97902	162.8
[M+CH3COO]-	293.99467	189.5
[M+Na-2H]-	255.95549	150.8
[M]+	234.98027	157.7
[M]-	234.98137	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe