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 121.6
[M+Na]+ 198.97289 125.2
[M+NH4]+ 194.01749 127.4
[M+K]+ 214.94683 127.1
[M-H]- 174.97639 127.2
[M+Na-2H]- 196.95834 127.0
[M]+ 175.98312 123.4
[M]- 175.98422 123.4
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