CID 4590297

80143-71-1

Structural Information

Molecular Formula
C14H14FNO
SMILES
COC1=CC=C(C=C1)CNC2=CC=C(C=C2)F
InChI
InChI=1S/C14H14FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3
InChIKey
GSIXDRVRPADHPJ-UHFFFAOYSA-N
Compound name
4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

231.10594 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11322 149.6
[M+Na]+ 254.09516 157.3
[M-H]- 230.09866 155.2
[M+NH4]+ 249.13976 167.3
[M+K]+ 270.06910 153.3
[M+H-H2O]+ 214.10320 141.2
[M+HCOO]- 276.10414 174.2
[M+CH3COO]- 290.11979 193.8
[M+Na-2H]- 252.08061 156.0
[M]+ 231.10539 149.1
[M]- 231.10649 149.1
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