CID 140144914

1187468-63-8

Structural Information

Molecular Formula
C8H13BrO2
SMILES
CC(C(=O)C1CCCOC1)Br
InChI
InChI=1S/C8H13BrO2/c1-6(9)8(10)7-3-2-4-11-5-7/h6-7H,2-5H2,1H3
InChIKey
VMDXSAVAQCTULN-UHFFFAOYSA-N
Compound name
2-bromo-1-(oxan-3-yl)propan-1-one
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 143.6
[M+Na]+ 242.999108 151.4
[M-H]- 219.002614 149.5
[M+NH4]+ 238.043713 163.8
[M+K]+ 258.973048 143.3
[M+H-H2O]+ 203.007150 143.9
[M+HCOO]- 265.008091 159.6
[M+CH3COO]- 279.023741 184.7
[M+Na-2H]- 240.984556 148.7
[M]+ 220.00934142 159.1
[M]- 220.01043858 159.1
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.