CID 599146

Tribromoacetyl chloride

Structural Information

Molecular Formula
C2Br3ClO
SMILES
C(=O)(C(Br)(Br)Br)Cl
InChI
InChI=1S/C2Br3ClO/c3-2(4,5)1(6)7
InChIKey
RDBMNMVDVKRYKW-UHFFFAOYSA-N
Compound name
2,2,2-tribromoacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
Patents

311.71878 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.72606 136.5
[M+Na]+ 334.70800 146.5
[M-H]- 310.71150 140.8
[M+NH4]+ 329.75260 153.0
[M+K]+ 350.68194 129.6
[M+H-H2O]+ 294.71604 152.0
[M+HCOO]- 356.71698 143.6
[M+CH3COO]- 370.73263 213.5
[M+Na-2H]- 332.69345 142.7
[M]+ 311.71823 177.1
[M]- 311.71933 177.1
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