CID 89990

2-bromo-1-butene

Structural Information

Molecular Formula
C4H7Br
SMILES
CCC(=C)Br
InChI
InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3
InChIKey
HQMXRIGBXOFKIU-UHFFFAOYSA-N
Compound name
2-bromobut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

364
Patents

133.97311 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.98039 119.1
[M+Na]+ 156.96233 121.6
[M+NH4]+ 152.00693 124.6
[M+K]+ 172.93627 121.9
[M-H]- 132.96583 118.1
[M+Na-2H]- 154.94778 121.4
[M]+ 133.97256 117.9
[M]- 133.97366 117.9
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