CID 3018997

3-bromo-2-oxopropanal

Structural Information

Molecular Formula
C3H3BrO2
SMILES
C(C(=O)C=O)Br
InChI
InChI=1S/C3H3BrO2/c4-1-3(6)2-5/h2H,1H2
InChIKey
SRFTYAFYJJADPI-UHFFFAOYSA-N
Compound name
3-bromo-2-oxopropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

149.93164 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.938916 118.2
[M+Na]+ 172.920858 130.4
[M-H]- 148.924364 121.8
[M+NH4]+ 167.965463 142.8
[M+K]+ 188.894798 121.3
[M+H-H2O]+ 132.928900 119.6
[M+HCOO]- 194.929841 140.3
[M+CH3COO]- 208.945491 172.4
[M+Na-2H]- 170.906306 126.9
[M]+ 149.93109142 137.5
[M]- 149.93218858 137.5
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