CID 7279

1,2,3-tribromopropane

Structural Information

Molecular Formula
C3H5Br3
SMILES
C(C(CBr)Br)Br
InChI
InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2
InChIKey
FHCLGDLYRUPKAM-UHFFFAOYSA-N
Compound name
1,2,3-tribromopropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

2106
Patents

277.79413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.80141 128.7
[M+Na]+ 300.78335 137.2
[M-H]- 276.78685 132.7
[M+NH4]+ 295.82795 145.5
[M+K]+ 316.75729 121.8
[M+H-H2O]+ 260.79139 143.7
[M+HCOO]- 322.79233 139.0
[M+CH3COO]- 336.80798 212.8
[M+Na-2H]- 298.76880 135.1
[M]+ 277.79358 168.8
[M]- 277.79468 168.8
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