CID 11789758

2-bromocyclohexanone

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1CCC(=O)C(C1)Br
InChI
InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKey
KDXYEWRAWRZXFT-UHFFFAOYSA-N
Compound name
2-bromocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

332
Patents

175.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 129.2
[M+Na]+ 198.97289 139.3
[M-H]- 174.97639 135.1
[M+NH4]+ 194.01749 152.8
[M+K]+ 214.94683 129.6
[M+H-H2O]+ 158.98093 130.2
[M+HCOO]- 220.98187 148.4
[M+CH3COO]- 234.99752 176.7
[M+Na-2H]- 196.95834 136.3
[M]+ 175.98312 143.6
[M]- 175.98422 143.6
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.