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

1
Patents

201.99933 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 130.7
[M+Na]+ 224.988548 142.3
[M-H]- 200.992054 139.9
[M+NH4]+ 220.033153 145.3
[M+K]+ 240.962488 135.2
[M+H-H2O]+ 184.996590 127.9
[M+HCOO]- 246.997531 149.7
[M+CH3COO]- 261.013181 188.5
[M+Na-2H]- 222.973996 138.9
[M]+ 201.99878142 157.2
[M]- 201.99987858 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

patents stripe