CID 478550

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

Structural Information

Molecular Formula
C16H16BrN
SMILES
C=CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H16BrN/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
PRYWTBALSDDCJW-UHFFFAOYSA-N
Compound name
4-bromo-N-(1-phenylbut-3-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.0466 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05388 163.6
[M+Na]+ 324.03582 172.2
[M-H]- 300.03932 172.0
[M+NH4]+ 319.08042 181.7
[M+K]+ 340.00976 159.2
[M+H-H2O]+ 284.04386 161.9
[M+HCOO]- 346.04480 184.8
[M+CH3COO]- 360.06045 203.1
[M+Na-2H]- 322.02127 169.6
[M]+ 301.04605 180.3
[M]- 301.04715 180.3
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.