CID 45120116

1-bromo-3-cyclopropylpropan-2-one

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1CC1CC(=O)CBr
InChI
InChI=1S/C6H9BrO/c7-4-6(8)3-5-1-2-5/h5H,1-4H2
InChIKey
HZBAJDUXDQLYQX-UHFFFAOYSA-N
Compound name
1-bromo-3-cyclopropylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

175.98367 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 131.5
[M+Na]+ 198.97289 144.2
[M-H]- 174.97639 138.8
[M+NH4]+ 194.01749 150.6
[M+K]+ 214.94683 133.7
[M+H-H2O]+ 158.98093 131.3
[M+HCOO]- 220.98187 152.7
[M+CH3COO]- 234.99752 181.9
[M+Na-2H]- 196.95834 138.9
[M]+ 175.98312 151.5
[M]- 175.98422 151.5
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

patents stripe