CID 292877

N-(4-fluorophenyl)-4-methylbenzylamine

Structural Information

Molecular Formula
C14H14FN
SMILES
CC1=CC=C(C=C1)CNC2=CC=C(C=C2)F
InChI
InChI=1S/C14H14FN/c1-11-2-4-12(5-3-11)10-16-14-8-6-13(15)7-9-14/h2-9,16H,10H2,1H3
InChIKey
OCGKEBAELVFTEG-UHFFFAOYSA-N
Compound name
4-fluoro-N-[(4-methylphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.11102 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11830 146.1
[M+Na]+ 238.10024 153.9
[M-H]- 214.10374 151.7
[M+NH4]+ 233.14484 164.5
[M+K]+ 254.07418 149.4
[M+H-H2O]+ 198.10828 137.9
[M+HCOO]- 260.10922 170.5
[M+CH3COO]- 274.12487 191.8
[M+Na-2H]- 236.08569 152.5
[M]+ 215.11047 144.1
[M]- 215.11157 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe