CID 608441

1,1,3,3-tetrabromoacetone

Structural Information

Molecular Formula
C3H2Br4O
SMILES
C(C(=O)C(Br)Br)(Br)Br
InChI
InChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H
InChIKey
SAMNBOHOBWEEEU-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrabromopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

369.6839 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.69118 154.5
[M+Na]+ 392.67312 149.4
[M+NH4]+ 387.71772 155.4
[M+K]+ 408.64706 156.0
[M-H]- 368.67662 156.1
[M+Na-2H]- 390.65857 155.8
[M]+ 369.68335 154.6
[M]- 369.68445 154.6
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

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