CID 43184900

(2-chloro-4-fluorophenyl)(4-methylphenyl)methanamine

Structural Information

Molecular Formula
C14H13ClFN
SMILES
CC1=CC=C(C=C1)C(C2=C(C=C(C=C2)F)Cl)N
InChI
InChI=1S/C14H13ClFN/c1-9-2-4-10(5-3-9)14(17)12-7-6-11(16)8-13(12)15/h2-8,14H,17H2,1H3
InChIKey
LHJDDAZELIIHFJ-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluorophenyl)-(4-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07933 153.8
[M+Na]+ 272.06127 168.7
[M+NH4]+ 267.10587 163.1
[M+K]+ 288.03521 160.2
[M-H]- 248.06477 158.4
[M+Na-2H]- 270.04672 163.0
[M]+ 249.07150 157.6
[M]- 249.07260 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.