CID 77246

1,2,2-tribromobutane

Structural Information

Molecular Formula
C4H7Br3
SMILES
CCC(CBr)(Br)Br
InChI
InChI=1S/C4H7Br3/c1-2-4(6,7)3-5/h2-3H2,1H3
InChIKey
LMTXANJNYFUPOZ-UHFFFAOYSA-N
Compound name
1,2,2-tribromobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.80978 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.81706 147.9
[M+Na]+ 314.79900 140.6
[M+NH4]+ 309.84360 149.1
[M+K]+ 330.77294 149.1
[M-H]- 290.80250 149.1
[M+Na-2H]- 312.78445 149.0
[M]+ 291.80923 147.0
[M]- 291.81033 147.0
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

No patent data available for this compound.