CID 44571

Brofaromine

Structural Information

Molecular Formula
C14H16BrNO2
SMILES
COC1=CC(=C2C(=C1)C=C(O2)C3CCNCC3)Br
InChI
InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3
InChIKey
WZXHSWVDAYOFPE-UHFFFAOYSA-N
Compound name
4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

140
References

3573
Patents

309.03644 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04372 165.3
[M+Na]+ 332.02566 176.2
[M-H]- 308.02916 173.3
[M+NH4]+ 327.07026 183.5
[M+K]+ 347.99960 165.5
[M+H-H2O]+ 292.03370 164.8
[M+HCOO]- 354.03464 181.8
[M+CH3COO]- 368.05029 178.7
[M+Na-2H]- 330.01111 170.3
[M]+ 309.03589 183.1
[M]- 309.03699 183.1
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.