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]+ 221.017166 136.1
[M+Na]+ 242.999108 142.1
[M-H]- 219.002614 142.7
[M+NH4]+ 238.043713 154.9
[M+K]+ 258.973048 138.1
[M+H-H2O]+ 203.007150 136.8
[M+HCOO]- 265.008091 152.5
[M+CH3COO]- 279.023741 185.7
[M+Na-2H]- 240.984556 142.3
[M]+ 220.00934142 148.2
[M]- 220.01043858 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.