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

225
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 145.8
[M+Na]+ 392.67312 152.3
[M-H]- 368.67662 148.9
[M+NH4]+ 387.71772 156.9
[M+K]+ 408.64706 138.6
[M+H-H2O]+ 352.68116 163.5
[M+HCOO]- 414.68210 151.0
[M+CH3COO]- 428.69775 231.7
[M+Na-2H]- 390.65857 148.2
[M]+ 369.68335 183.4
[M]- 369.68445 183.4
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