CID 84466

1,2,2-tribromopropane

Structural Information

Molecular Formula
C3H5Br3
SMILES
CC(CBr)(Br)Br
InChI
InChI=1S/C3H5Br3/c1-3(5,6)2-4/h2H2,1H3
InChIKey
IELJYJRPJJILHQ-UHFFFAOYSA-N
Compound name
1,2,2-tribromopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

277.79413 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.801406 132.1
[M+Na]+ 300.783348 141.0
[M-H]- 276.786854 136.2
[M+NH4]+ 295.827953 148.9
[M+K]+ 316.757288 125.5
[M+H-H2O]+ 260.791390 147.3
[M+HCOO]- 322.792331 142.0
[M+CH3COO]- 336.807981 212.5
[M+Na-2H]- 298.768796 139.1
[M]+ 277.79358142 172.2
[M]- 277.79467858 172.2
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