CID 64036996

1341925-26-5

Structural Information

Molecular Formula

C₁₃H₁₁F₂N

SMILES

CC1=CC(=C(C=C1)N)C2=C(C=CC=C2F)F

InChI

InChI=1S/C13H11F2N/c1-8-5-6-12(16)9(7-8)13-10(14)3-2-4-11(13)15/h2-7H,16H2,1H3

InChIKey

MZDROCPIXJWCRW-UHFFFAOYSA-N

Compound name

2-(2,6-difluorophenyl)-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.08595 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]+	220.093226	145.0
[M+Na]+	242.075168	155.2
[M-H]-	218.078674	149.7
[M+NH4]+	237.119773	163.6
[M+K]+	258.049108	150.2
[M+H-H2O]+	202.083210	136.5
[M+HCOO]-	264.084151	168.0
[M+CH3COO]-	278.099801	193.2
[M+Na-2H]-	240.060616	148.8
[M]+	219.08540142	141.4
[M]-	219.08649858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe