CID 557244

89856-55-3

Structural Information

Molecular Formula
C7H9BrO
SMILES
C1CC2CC1C(C2=O)Br
InChI
InChI=1S/C7H9BrO/c8-6-4-1-2-5(3-4)7(6)9/h4-6H,1-3H2
InChIKey
GHOZMXZLEMRIAG-UHFFFAOYSA-N
Compound name
3-bromobicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

187.98367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99095 139.6
[M+Na]+ 210.97289 152.0
[M-H]- 186.97639 145.6
[M+NH4]+ 206.01749 167.9
[M+K]+ 226.94683 142.0
[M+H-H2O]+ 170.98093 141.7
[M+HCOO]- 232.98187 159.6
[M+CH3COO]- 246.99752 179.8
[M+Na-2H]- 208.95834 144.4
[M]+ 187.98312 156.5
[M]- 187.98422 156.5
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