CID 720692

4-(1-benzofuran-2-yl)aniline

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H11NO/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H,15H2
InChIKey
HJLGQPREWJFXII-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

683
Patents

209.08406 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 142.7
[M+Na]+ 232.07328 153.1
[M-H]- 208.07678 151.7
[M+NH4]+ 227.11788 162.9
[M+K]+ 248.04722 149.5
[M+H-H2O]+ 192.08132 136.3
[M+HCOO]- 254.08226 169.0
[M+CH3COO]- 268.09791 157.5
[M+Na-2H]- 230.05873 151.0
[M]+ 209.08351 144.1
[M]- 209.08461 144.1
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

patents stripe