CID 11401088

4-bromocyclohexanone

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1CC(=O)CCC1Br
InChI
InChI=1S/C6H9BrO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2
InChIKey
OMCGWSBEIHGWOH-UHFFFAOYSA-N
Compound name
4-bromocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

175.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 128.7
[M+Na]+ 198.97289 131.1
[M+NH4]+ 194.01749 134.5
[M+K]+ 214.94683 131.0
[M-H]- 174.97639 129.4
[M+Na-2H]- 196.95834 131.6
[M]+ 175.98312 127.9
[M]- 175.98422 127.9
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