CID 54595272

(2-chlorophenyl)(4-fluoro-3-methylphenyl)methanamine

Structural Information

Molecular Formula

C₁₄H₁₃ClFN

SMILES

CC1=C(C=CC(=C1)C(C2=CC=CC=C2Cl)N)F

InChI

InChI=1S/C14H13ClFN/c1-9-8-10(6-7-13(9)16)14(17)11-4-2-3-5-12(11)15/h2-8,14H,17H2,1H3

InChIKey

WWOTUTKCNYLGKV-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.07205 Da
Monoisotopic Mass: 3.6
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]+	250.079326	153.6
[M+Na]+	272.061268	162.8
[M-H]-	248.064774	158.8
[M+NH4]+	267.105873	171.5
[M+K]+	288.035208	156.6
[M+H-H2O]+	232.069310	146.5
[M+HCOO]-	294.070251	171.8
[M+CH3COO]-	308.085901	196.9
[M+Na-2H]-	270.046716	156.5
[M]+	249.07150142	152.7
[M]-	249.07259858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.