CID 221013

2-bromoanthraquinone

Structural Information

Molecular Formula
C14H7BrO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C14H7BrO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey
VTSDGYDTWADUJQ-UHFFFAOYSA-N
Compound name
2-bromoanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

986
Patents

285.96295 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97023 153.0
[M+Na]+ 308.95217 166.4
[M-H]- 284.95567 161.5
[M+NH4]+ 303.99677 174.7
[M+K]+ 324.92611 154.5
[M+H-H2O]+ 268.96021 153.0
[M+HCOO]- 330.96115 172.3
[M+CH3COO]- 344.97680 168.1
[M+Na-2H]- 306.93762 161.6
[M]+ 285.96240 172.1
[M]- 285.96350 172.1
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

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