CID 4962204

(4-ethylphenyl)(3-fluorophenyl)methanamine

Structural Information

Molecular Formula
C15H16FN
SMILES
CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)N
InChI
InChI=1S/C15H16FN/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-10,15H,2,17H2,1H3
InChIKey
XSLJZWFJXPANEX-UHFFFAOYSA-N
Compound name
(4-ethylphenyl)-(3-fluorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.12668 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13396 151.8
[M+Na]+ 252.11590 158.9
[M-H]- 228.11940 156.8
[M+NH4]+ 247.16050 169.4
[M+K]+ 268.08984 154.3
[M+H-H2O]+ 212.12394 143.7
[M+HCOO]- 274.12488 174.3
[M+CH3COO]- 288.14053 195.0
[M+Na-2H]- 250.10135 155.4
[M]+ 229.12613 148.7
[M]- 229.12723 148.7
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

No patent data available for this compound.