CID 165999704

2-bromo-1-{spiro[2.3]hexan-5-yl}ethan-1-one

Structural Information

Molecular Formula
C8H11BrO
SMILES
C1CC12CC(C2)C(=O)CBr
InChI
InChI=1S/C8H11BrO/c9-5-7(10)6-3-8(4-6)1-2-8/h6H,1-5H2
InChIKey
HOPNLYSPTOWSSY-UHFFFAOYSA-N
Compound name
2-bromo-1-spiro[2.3]hexan-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.99933 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00661 130.7
[M+Na]+ 224.98855 142.3
[M-H]- 200.99205 139.9
[M+NH4]+ 220.03315 145.3
[M+K]+ 240.96249 135.2
[M+H-H2O]+ 184.99659 127.9
[M+HCOO]- 246.99753 149.7
[M+CH3COO]- 261.01318 188.5
[M+Na-2H]- 222.97400 138.9
[M]+ 201.99878 157.2
[M]- 201.99988 157.2
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

No patent data available for this compound.