CID 103145

2-bromobenzanthrone

Structural Information

Molecular Formula
C17H9BrO
SMILES
C1=CC=C2C(=C1)C3=C4C(=CC(=C3)Br)C=CC=C4C2=O
InChI
InChI=1S/C17H9BrO/c18-11-8-10-4-3-7-14-16(10)15(9-11)12-5-1-2-6-13(12)17(14)19/h1-9H
InChIKey
JLPIRWUZYOQKQZ-UHFFFAOYSA-N
Compound name
2-bromobenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.98367 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99095 156.6
[M+Na]+ 330.97289 164.6
[M+NH4]+ 326.01749 164.3
[M+K]+ 346.94683 161.0
[M-H]- 306.97639 160.1
[M+Na-2H]- 328.95834 161.3
[M]+ 307.98312 157.9
[M]- 307.98422 157.9
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