CID 129681956

1-bromo-3-iodoacetone

Structural Information

Molecular Formula
C3H4BrIO
SMILES
C(C(=O)CI)Br
InChI
InChI=1S/C3H4BrIO/c4-1-3(6)2-5/h1-2H2
InChIKey
YMHCIXGATYNJNH-UHFFFAOYSA-N
Compound name
1-bromo-3-iodopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.84903 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.85631 132.0
[M+Na]+ 284.83825 136.9
[M-H]- 260.84175 129.1
[M+NH4]+ 279.88285 151.5
[M+K]+ 300.81219 133.4
[M+H-H2O]+ 244.84629 129.6
[M+HCOO]- 306.84723 148.7
[M+CH3COO]- 320.86288 182.8
[M+Na-2H]- 282.82370 128.4
[M]+ 261.84848 147.3
[M]- 261.84958 147.3
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