CID 478549

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

Structural Information

Molecular Formula
C16H16ClN
SMILES
C=CCC(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClN/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
UNQCEFAUOBWWQV-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-phenylbut-3-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.09714 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10442 159.1
[M+Na]+ 280.08636 165.8
[M-H]- 256.08986 165.1
[M+NH4]+ 275.13096 176.2
[M+K]+ 296.06030 159.2
[M+H-H2O]+ 240.09440 152.1
[M+HCOO]- 302.09534 178.4
[M+CH3COO]- 316.11099 197.8
[M+Na-2H]- 278.07181 163.9
[M]+ 257.09659 159.5
[M]- 257.09769 159.5
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.