CID 146965770

2-bromo-1-(oxepan-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H13BrO2
SMILES
C1CC(CCOC1)C(=O)CBr
InChI
InChI=1S/C8H13BrO2/c9-6-8(10)7-2-1-4-11-5-3-7/h7H,1-6H2
InChIKey
ALLXDDJQQRDRMK-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxepan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 136.1
[M+Na]+ 242.99911 142.1
[M-H]- 219.00261 142.7
[M+NH4]+ 238.04371 154.9
[M+K]+ 258.97305 138.1
[M+H-H2O]+ 203.00715 136.8
[M+HCOO]- 265.00809 152.5
[M+CH3COO]- 279.02374 185.7
[M+Na-2H]- 240.98456 142.3
[M]+ 220.00934 148.2
[M]- 220.01044 148.2
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.