CID 10878830

5-bromo-2,3-dihydro-1h-indene-1,3-dione

Structural Information

Molecular Formula
C9H5BrO2
SMILES
C1C(=O)C2=C(C1=O)C=C(C=C2)Br
InChI
InChI=1S/C9H5BrO2/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3H,4H2
InChIKey
ADTNQTYUZPHLAS-UHFFFAOYSA-N
Compound name
5-bromoindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

223.9473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95458 138.5
[M+Na]+ 246.93652 152.6
[M-H]- 222.94002 146.5
[M+NH4]+ 241.98112 163.6
[M+K]+ 262.91046 141.6
[M+H-H2O]+ 206.94456 139.9
[M+HCOO]- 268.94550 160.6
[M+CH3COO]- 282.96115 185.2
[M+Na-2H]- 244.92197 145.3
[M]+ 223.94675 157.7
[M]- 223.94785 157.7
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