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 147.2
[M+Na]+ 258.97289 162.6
[M-H]- 234.97639 157.7
[M+NH4]+ 254.01749 169.1
[M+K]+ 274.94683 151.1
[M+H-H2O]+ 218.98093 148.6
[M+HCOO]- 280.98187 168.0
[M+CH3COO]- 294.99752 163.1
[M+Na-2H]- 256.95834 154.9
[M]+ 235.98312 167.3
[M]- 235.98422 167.3
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