CID 3718050

4-bromo-7-hydroxy-1-indanone

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C1CC(=O)C2=C(C=CC(=C21)Br)O
InChI
InChI=1S/C9H7BrO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2
InChIKey
ZTWBCFVYMDBPPD-UHFFFAOYSA-N
Compound name
4-bromo-7-hydroxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

225.96294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 141.1
[M+Na]+ 248.95216 154.4
[M-H]- 224.95566 147.7
[M+NH4]+ 243.99676 165.5
[M+K]+ 264.92610 143.1
[M+H-H2O]+ 208.96020 142.6
[M+HCOO]- 270.96114 161.5
[M+CH3COO]- 284.97679 183.5
[M+Na-2H]- 246.93761 147.3
[M]+ 225.96239 159.1
[M]- 225.96349 159.1
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