CID 90433337

1627917-16-1

Structural Information

Molecular Formula
C16H9BrO
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=C(O3)C=CC(=C4)Br
InChI
InChI=1S/C16H9BrO/c17-12-5-6-15-14(9-12)13-7-10-3-1-2-4-11(10)8-16(13)18-15/h1-9H
InChIKey
SXNOGSKQBHIZHE-UHFFFAOYSA-N
Compound name
2-bromonaphtho[2,3-b][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

295.98367 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99095 160.8
[M+Na]+ 318.97289 176.5
[M-H]- 294.97639 171.6
[M+NH4]+ 314.01749 183.8
[M+K]+ 334.94683 165.3
[M+H-H2O]+ 278.98093 161.4
[M+HCOO]- 340.98187 182.7
[M+CH3COO]- 354.99752 177.0
[M+Na-2H]- 316.95834 171.7
[M]+ 295.98312 184.2
[M]- 295.98422 184.2
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

patents stripe