CID 93108

2,2,3-tribromopropanal

Structural Information

Molecular Formula
C3H3Br3O
SMILES
C(C(C=O)(Br)Br)Br
InChI
InChI=1S/C3H3Br3O/c4-1-3(5,6)2-7/h2H,1H2
InChIKey
BEWGXCJZMNOBIQ-UHFFFAOYSA-N
Compound name
2,2,3-tribromopropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

291.7734 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.78068 132.0
[M+Na]+ 314.76262 140.9
[M-H]- 290.76612 136.0
[M+NH4]+ 309.80722 148.4
[M+K]+ 330.73656 125.3
[M+H-H2O]+ 274.77066 147.1
[M+HCOO]- 336.77160 142.1
[M+CH3COO]- 350.78725 213.0
[M+Na-2H]- 312.74807 139.1
[M]+ 291.77285 172.5
[M]- 291.77395 172.5
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