CID 105131

Bromoacetaldehyde

Structural Information

Molecular Formula
C2H3BrO
SMILES
C(C=O)Br
InChI
InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2
InChIKey
NMPVEAUIHMEAQP-UHFFFAOYSA-N
Compound name
2-bromoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

63
References

19230
Patents

121.93673 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.944006 112.0
[M+Na]+ 144.925948 124.7
[M-H]- 120.929454 115.8
[M+NH4]+ 139.970553 137.9
[M+K]+ 160.899888 115.6
[M+H-H2O]+ 104.933990 113.8
[M+HCOO]- 166.934931 135.0
[M+CH3COO]- 180.950581 167.9
[M+Na-2H]- 142.911396 122.5
[M]+ 121.93618142 130.9
[M]- 121.93727858 130.9
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