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 163.1
[M+Na]+ 330.97289 175.8
[M-H]- 306.97639 171.5
[M+NH4]+ 326.01749 184.8
[M+K]+ 346.94683 163.4
[M+H-H2O]+ 290.98093 162.3
[M+HCOO]- 352.98187 180.7
[M+CH3COO]- 366.99752 177.3
[M+Na-2H]- 328.95834 172.7
[M]+ 307.98312 182.5
[M]- 307.98422 182.5
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

patents stripe