CID 70654604

1396777-69-7

Structural Information

Molecular Formula
C11H9BrO
SMILES
C1CC12CC(=O)C3=C2C=C(C=C3)Br
InChI
InChI=1S/C11H9BrO/c12-7-1-2-8-9(5-7)11(3-4-11)6-10(8)13/h1-2,5H,3-4,6H2
InChIKey
JIKJKYXSXQPCNQ-UHFFFAOYSA-N
Compound name
5-bromospiro[2H-indene-3,1'-cyclopropane]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

235.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99095 140.0
[M+Na]+ 258.97289 145.4
[M+NH4]+ 254.01749 148.3
[M+K]+ 274.94683 145.4
[M-H]- 234.97639 147.9
[M+Na-2H]- 256.95834 146.8
[M]+ 235.98312 143.1
[M]- 235.98422 143.1
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