CID 11062733

2-bromo-3-oxobutanal

Structural Information

Molecular Formula
C4H5BrO2
SMILES
CC(=O)C(C=O)Br
InChI
InChI=1S/C4H5BrO2/c1-3(7)4(5)2-6/h2,4H,1H3
InChIKey
LOGAXLAFZKOKQR-UHFFFAOYSA-N
Compound name
2-bromo-3-oxobutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

163.9473 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.95458 123.3
[M+Na]+ 186.93652 124.7
[M+NH4]+ 181.98112 127.5
[M+K]+ 202.91046 126.6
[M-H]- 162.94002 121.0
[M+Na-2H]- 184.92197 124.4
[M]+ 163.94675 121.4
[M]- 163.94785 121.4
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