CID 24688468

(4-fluorophenyl)(4-methoxyphenyl)methanamine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.10594 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.113216 150.7
[M+Na]+ 254.095158 158.1
[M-H]- 230.098664 155.9
[M+NH4]+ 249.139763 168.1
[M+K]+ 270.069098 154.3
[M+H-H2O]+ 214.103200 142.4
[M+HCOO]- 276.104141 173.7
[M+CH3COO]- 290.119791 194.1
[M+Na-2H]- 252.080606 154.8
[M]+ 231.10539142 148.6
[M]- 231.10648858 148.6
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

patents stripe