CID 478548

4-fluoro-n-(1-phenylbut-3-enyl)aniline

Structural Information

Molecular Formula
C16H16FN
SMILES
C=CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FN/c1-2-6-16(13-7-4-3-5-8-13)18-15-11-9-14(17)10-12-15/h2-5,7-12,16,18H,1,6H2
InChIKey
WRXGSOLVYSDCBG-UHFFFAOYSA-N
Compound name
4-fluoro-N-(1-phenylbut-3-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.12668 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13396 154.8
[M+Na]+ 264.11590 160.7
[M-H]- 240.11940 159.7
[M+NH4]+ 259.16050 171.6
[M+K]+ 280.08984 155.6
[M+H-H2O]+ 224.12394 146.2
[M+HCOO]- 286.12488 177.6
[M+CH3COO]- 300.14053 196.7
[M+Na-2H]- 262.10135 159.6
[M]+ 241.12613 151.8
[M]- 241.12723 151.8
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.