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

290
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

literature stripe

Patent stripe

patents stripe